SCHEMBL4936764

SCHEMBL4936764

C=C(c1ccccc1)c1cc2c(cc1OC)CCN(C(=O)C(F)(F)F)C[C@H]2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.46
TRPV1 Q8NER1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 4/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MITF O75030 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PDE4B Q07343 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL4936755 1.00 MTNR1B (0.46) MTNR1BTRPV1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4936758 1.00 MTNR1B (0.46) MTNR1BTRPV1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4940190 0.90 MTNR1B (0.47) MTNR1BTRPV1ALDH1A1SMN1; SMN2NPC1
SCHEMBL5447981 0.82 MTNR1B (0.48) MTNR1BTRPV1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4938831 0.80 MTNR1B (0.48) MTNR1BTRPV1ALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4937211 0.79 MTNR1B (0.48) MTNR1BTRPV1ALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4937223 0.79 MTNR1B (0.48) MTNR1BTRPV1ALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4937219 0.79 MTNR1B (0.48) MTNR1BTRPV1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4936397 0.79 HTR2C (0.48) MTNR1BSMN1; SMN2LMNAESR1ESR2
SCHEMBL4936392 0.79 HTR2C (0.48) MTNR1BSMN1; SMN2LMNAESR1ESR2

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 27/4885TRPV1 90/4885ALDH1A1 809/4885

“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.