SCHEMBL4830635

SCHEMBL4830635

O=C(O)c1cc2cc3c(cc2s1)NCC3

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.50
BCL2L1 Q07817 1/20 0.42
ALDH1A1 P00352 3/20 0.41
DAO P14920 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
PTPN2 P17706 2/20 0.39
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
TBXAS1 P24557 3/20 0.35
NOTUM Q6P988 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
AR P10275 2/20 0.33
STING1 Q86WV6 1/20 0.32

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
SCHEMBL28526980 0.87 KDM4E (0.50) GPR35BCL2L1ALDH1A1DAOKDM4E
SCHEMBL4827429 0.86 PTPN2 (0.43) GPR35ALDH1A1KDM4EMAPTPTPN2
SCHEMBL30643033 0.74 GPR35 (0.76) GPR35BCL2L1ALDH1A1DAOKDM4E
SCHEMBL28521802 0.74 GPR35 (0.47) GPR35BCL2L1ALDH1A1DAOKDM4E
SCHEMBL19433653 0.73 PTPN2 (0.42) GPR35ALDH1A1KDM4EMAPTPTPN2
SCHEMBL28529829 0.71 RARB (0.46) GPR35BCL2L1ALDH1A1DAOPTPN2
SCHEMBL28535966 0.70 GPR35 (0.40) GPR35BCL2L1PTPN2TBXAS1
SCHEMBL17490826 0.69 DRD2 (0.46) ALDH1A1KDM4EMAPTDRD2DRD4
SCHEMBL5654869 0.69 KDM4E (0.40) GPR35BCL2L1ALDH1A1DAOKDM4E
SCHEMBL31615934 0.69 GPR35 (0.49) GPR35BCL2L1ALDH1A1DAOKDM4E

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 17 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

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 GPR35 101/4885BCL2L1 3743/4885ALDH1A1 1748/4885
US-20050197380-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A GPR35 101/4885BCL2L1 3743/4885ALDH1A1 1748/4885
US-20050192334-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A GPR35 101/4885BCL2L1 3743/4885ALDH1A1 1748/4885
US-20080125455-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, Receptor ligands HTR2C, HTR2A, HTR1A GPR35 100/4885BCL2L1 3757/4885ALDH1A1 1741/4885
US-20080114018-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A GPR35 101/4885BCL2L1 3743/4885ALDH1A1 1748/4885
US-20050187282-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands HTR2C, HTR2A, HTR1A GPR35 101/4885BCL2L1 3743/4885ALDH1A1 1748/4885
US-20070099980-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A GPR35 101/4885BCL2L1 3743/4885ALDH1A1 1748/4885
US-20070105889-A1 Condensed indoline derivatives and their use as 5HT , in particular 5hHT2c, receptor ligands HTR2C, HTR2A, HTR5A GPR35 88/4885BCL2L1 3617/4885ALDH1A1 1407/4885
US-20070099981-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A GPR35 101/4885BCL2L1 3743/4885ALDH1A1 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.