SCHEMBL4929652

SCHEMBL4929652

C[C@@H]1CN(C(=O)C(F)(F)F)CCc2cc(O)c(Cc3cccc(F)c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.39
ESR2 Q92731 7/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ATM Q13315 1/20 0.36
KDM1A O60341 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPK1 P28482 1/20 0.34
THPO P40225 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD1 P21728 1/20 0.34
MTOR P42345 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL4936415 0.91 ESR1 (0.43) ESR1ESR2KDM1AMAPK1THPO
SCHEMBL4935209 0.89 MTNR1B (0.42) ESR1ESR2PDE3BPDE3ANPC1
SCHEMBL4938831 0.79 MTNR1B (0.48) ESR1ESR2NPC1RAB9AALDH1A1
SCHEMBL4940233 0.78 ESR1 (0.42) ESR1ESR2THPOHSD17B10DRD1
Hydrochloric Acid SCHEMBL4937223 0.78 MTNR1B (0.48) ESR1ESR2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL4937219 0.78 MTNR1B (0.48) ESR1ESR2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL4937211 0.78 MTNR1B (0.48) ESR1ESR2NPC1RAB9AALDH1A1
SCHEMBL1095022 0.76 ESR1 (0.45) ESR1ESR2THPOHSD17B10DRD1
SCHEMBL1095978 0.76 ESR1 (0.42) ESR1ESR2KDM1AMAPK1THPO
SCHEMBL1094695 0.76 HTR2A (0.47) ESR1ESR2KDM1AMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
WO-2005042491-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 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-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases HTR2C, HTR2A, HTR2B ESR1 1181/4885ESR2 456/4885PDE3B 1057/4885

“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.