SCHEMBL4935209

SCHEMBL4935209

COc1cc2c(cc1Cc1cccc(F)c1)[C@H](C)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.42
KMT2A Q03164 4/20 0.41
GRIN2C Q14957 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
LMNA P02545 2/20 0.38
HSD11B1 P28845 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 2/20 0.38
MLNR O43193 1/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4938831 0.91 MTNR1B (0.48) MTNR1BKMT2AESR1ESR2LMNA
Hydrochloric Acid SCHEMBL4937223 0.90 MTNR1B (0.48) MTNR1BKMT2AESR1ESR2LMNA
Hydrochloric Acid SCHEMBL4937219 0.90 MTNR1B (0.48) MTNR1BKMT2AESR1ESR2LMNA
Hydrochloric Acid SCHEMBL4937211 0.90 MTNR1B (0.48) MTNR1BKMT2AESR1ESR2LMNA
SCHEMBL4929652 0.89 ESR1 (0.39) PDE3BPDE3AESR1ESR2HSD11B1
SCHEMBL4936415 0.80 ESR1 (0.43) MTNR1BESR1ESR2MAPK1
SCHEMBL4940190 0.77 MTNR1B (0.47) MTNR1BKMT2AESR1ESR2LMNA
SCHEMBL4936397 0.77 HTR2C (0.48) MTNR1BKMT2AESR1ESR2LMNA
SCHEMBL1094266 0.77 HTR2A (0.48) MTNR1BKMT2AESR1ESR2LMNA
SCHEMBL1094406 0.77 HTR2A (0.48) MTNR1BKMT2AESR1ESR2LMNA

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 MTNR1B 27/4885KMT2A 617/4885GRIN2C 19/4885

“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.