SCHEMBL4822348

SCHEMBL4822348

COC(=O)c1cc2ccc3c(c2[nH]1)CCS3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.43
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 4/20 0.38
GAA P10253 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GLA P06280 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.35
ALPL P05186 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 2/20 0.34
ABL1 P00519 4/20 0.34
SRC P12931 3/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4824420 0.83 HPGD (0.48) ALDH1A1KDM4EALOX15HSD17B10LMNA
SCHEMBL25507489 0.75 XDH (0.44) XDHCYP1A2GAAGLALMNA
SCHEMBL4827008 0.74 XDH (0.43) XDHCYP1A2ALDH1A1GAAKDM4E
SCHEMBL4820996 0.72 MTNR1A (0.42) XDHCYP1A2ALDH1A1GAAKDM4E
SCHEMBL25508045 0.69 XDH (0.44) XDHCYP1A2GAAKDM4EGLA
SCHEMBL30418263 0.69 XDH (0.44) XDHCYP1A2GAAKDM4EGLA
SCHEMBL8985899 0.69 ALDH1A1 (0.67) XDHALDH1A1GAAKDM4EGLA
SCHEMBL30418792 0.69 XDH (0.49) XDHCYP1A2GAAKDM4EGLA
SCHEMBL25508042 0.69 XDH (0.49) XDHCYP1A2GAAKDM4EGLA
SCHEMBL3283667 0.67 NSD2 (0.61) XDHALDH1A1GAAKDM4EGLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125455-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, Receptor ligands VERNALIS RESEARCH LIMITED 2008-05-29 US disclosed
US-20080114018-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2008-05-15 US disclosed
US-20080090858-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2008-04-17 US disclosed
US-7323473-B2 Administering (S)-1-(2,3,7,8-tetrahydrofuro[2,3-g]indol-1-yl)-2-propylamine; serotonin receptor antagonists (5HT/5HT2C) for treatment of obesity VERNALIS RESEARCH LIMITED (GB) 2008-01-29 US disclosed
US-7323487-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2008-01-29 US disclosed
US-7323486-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2008-01-29 US disclosed
US-20070105889-A1 Condensed indoline derivatives and their use as 5HT , in particular 5hHT2c, receptor ligands VERNALIS RESEARCH LIMITED 2007-05-10 US disclosed
US-20070099981-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2007-05-03 US disclosed
US-20070099980-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2007-05-03 US disclosed
US-7173056-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2007-02-06 US disclosed
US-7166632-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2007-01-23 US disclosed
US-7166613-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2007-01-23 US disclosed
US-6962939-B1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2005-11-08 US disclosed
EP-1202964-B1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RES LTD (GB) 2005-10-12 EP disclosed
US-20050197380-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2005-09-08 US disclosed
US-20050192334-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2005-09-01 US disclosed
US-20050187282-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands VERNALIS RESEARCH LIMITED 2005-08-25 US disclosed
EP-1202964-A1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP disclosed
WO-2001012602-A1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-02-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080090858-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A XDH 2020/4885CYP1A2 164/4885ALDH1A1 1748/4885
US-20050197380-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A XDH 2020/4885CYP1A2 164/4885ALDH1A1 1748/4885
US-20050192334-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A XDH 2020/4885CYP1A2 164/4885ALDH1A1 1748/4885
US-20080125455-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, Receptor ligands HTR2C, HTR2A, HTR1A XDH 2030/4885CYP1A2 164/4885ALDH1A1 1741/4885
US-20080114018-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A XDH 2020/4885CYP1A2 164/4885ALDH1A1 1748/4885
US-20050187282-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands HTR2C, HTR2A, HTR1A XDH 2020/4885CYP1A2 164/4885ALDH1A1 1748/4885
US-20070099980-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A XDH 2020/4885CYP1A2 164/4885ALDH1A1 1748/4885
US-20070105889-A1 Condensed indoline derivatives and their use as 5HT , in particular 5hHT2c, receptor ligands HTR2C, HTR2A, HTR5A XDH 2308/4885CYP1A2 146/4885ALDH1A1 1407/4885
US-20070099981-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A XDH 2020/4885CYP1A2 164/4885ALDH1A1 1748/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.