SCHEMBL7477945

SCHEMBL7477945

CC(=O)N1CCc2cc(OS(=O)(=O)C(F)(F)F)c(C(F)(F)F)cc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.50
HTR2C P28335 11/20 0.45
HTR2A P28223 9/20 0.45
HTR2B P41595 8/20 0.45
CYP1A2 P05177 3/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TRIM24 O15164 1/20 0.44
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL30038539 0.85 HTR2C (0.58) NOTUMHTR2CHTR2AHTR2BCYP1A2
SCHEMBL7972018 0.77 HTR2C (0.58) HTR2CHTR2AHTR2BCYP1A2LMNA
SCHEMBL7373998 0.77 NOTUM (0.59) NOTUMHTR2CHTR2AHTR2BPOLB
SCHEMBL7479611 0.77 NOTUM (0.59) NOTUMHTR2CHTR2AHTR2BPOLB
SCHEMBL30038735 0.77 HTR2C (0.55) HTR2CHTR2AHTR2BCYP1A2LMNA
SCHEMBL7083408 0.75 NOTUM (0.57) NOTUMHTR2CHTR2AHTR2BCYP1A2
SCHEMBL7086213 0.74 HTR2C (0.59) NOTUMHTR2CHTR2AHTR2BCYP1A2
SCHEMBL8141514 0.73 LMNA (0.60) NOTUMPOLBLMNATSHRSMN1; SMN2
SCHEMBL30039733 0.70 NOTUM (0.52) NOTUMHTR2CHTR2AHTR2BCYP1A2
SCHEMBL8130919 0.70 NOTUM (0.54) NOTUMPOLBRXFP1USP2LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912554-B1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-11-27 EP disclosed
US-6369060-B1 CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY; 5-METHYL-6-TRIFLUOROMETHYL-1-(6-(2-METHYLPYRIDIN-3-YLOXY)-PYRIDIN-3-YL CARBAMOYL)INDOLINE AND 5-METHYL-1-(6-(2-METHYLPYRIDIN-3-YLOXY) -PYRIDAZIN-3-YLCARBAMOYL)-6-TRIFLUOROMETHYLINDOLINE SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-09 US disclosed
US-20020035134-A1 Indoline derivatives useful as 5-HT-2C receptor antagonists SMITHKLINE BEECHAM P.L.C. 2002-03-21 US disclosed
US-6313145-B1 FOR THERAPY OF ANXIETY AND/OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-06 US disclosed
EP-0912556-B1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-10-04 EP disclosed
EP-0984956-A1 INDOLINE DERIVATIVES AS 5HT2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-03-15 EP disclosed
EP-0912556-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
WO-1998052943-A1 INDOLINE DERIVATIVES AS 5HT2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-11-26 WO disclosed
WO-1997048700-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 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 (1 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-20020035134-A1 Indoline derivatives useful as 5-HT-2C receptor antagonists HTR2C, HTR1A, HTR1D NOTUM 4029/4885HTR2C 1/4885HTR2A 10/4885

“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.