SCHEMBL4827008

SCHEMBL4827008

COC(=O)c1cc2ccc3c(c2[nH]1)CCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.43
MTNR1A P48039 5/20 0.39
MTNR1B P49286 4/20 0.39
POLB P06746 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ABL1 P00519 1/20 0.36
SRC P12931 1/20 0.36
DYRK1A Q13627 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.34
ALPL P05186 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4820996 0.92 MTNR1A (0.42) XDHMTNR1AMTNR1BPOLBGLA
SCHEMBL4821076 0.83 HPGD (0.48) KDM4EALDH1A1CYP2C19MAPTALPL
SCHEMBL4823140 0.83 XDH (0.44) XDHPOLBGLAGAACYP1A2
SCHEMBL4825508 0.76 HPGD (0.46) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL25507489 0.75 XDH (0.44) XDHPOLBGLAGAACYP1A2
SCHEMBL4822348 0.74 XDH (0.43) XDHGLAGAACYP1A2KDM4E
SCHEMBL12338716 0.73 POLB (0.45) XDHPOLBGLAGAACYP1A2
SCHEMBL25508045 0.69 XDH (0.44) XDHGLAGAACYP1A2KDM4E
SCHEMBL30418263 0.69 XDH (0.44) XDHGLAGAACYP1A2KDM4E
SCHEMBL23698345 0.69 KDM4E (0.45) MTNR1AMTNR1BPOLBGAAKDM4E

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 2020/4885MTNR1A 23/4885MTNR1B 22/4885
US-20050197380-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A XDH 2020/4885MTNR1A 23/4885MTNR1B 22/4885
US-20050192334-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A XDH 2020/4885MTNR1A 23/4885MTNR1B 22/4885
US-20080125455-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, Receptor ligands HTR2C, HTR2A, HTR1A XDH 2030/4885MTNR1A 23/4885MTNR1B 22/4885
US-20080114018-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A XDH 2020/4885MTNR1A 23/4885MTNR1B 22/4885
US-20050187282-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands HTR2C, HTR2A, HTR1A XDH 2020/4885MTNR1A 23/4885MTNR1B 22/4885
US-20070099980-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A XDH 2020/4885MTNR1A 23/4885MTNR1B 22/4885
US-20070105889-A1 Condensed indoline derivatives and their use as 5HT , in particular 5hHT2c, receptor ligands HTR2C, HTR2A, HTR5A XDH 2308/4885MTNR1A 25/4885MTNR1B 24/4885
US-20070099981-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A XDH 2020/4885MTNR1A 23/4885MTNR1B 22/4885

“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.