SCHEMBL8253681

SCHEMBL8253681

C=CCc1c(-c2cccc(OC)c2)ccn(Cc2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ TP53 P04637 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GRM2 Q14416 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PTGER3 P43115 1/20 0.45
▸ BRD4 O60885 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ HTR2B P41595 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
SCHEMBL8253863 0.86 ALDH1A1 (0.50) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL31006538 0.73 ROCK2 (0.67) MAPTTP53LMNAGRM2KMT2A
SCHEMBL29283839 0.73 ROCK2 (0.67) MAPTTP53LMNAGRM2KMT2A
SCHEMBL4485504 0.71 MAPK14 (0.53) MAPTTP53LMNAGRM2KMT2A
SCHEMBL28178546 0.69 SIGMAR1 (0.55) MAPTTP53LMNAKMT2AALDH1A1
SCHEMBL5435549 0.69 BRD4 (0.60) MAPTTP53LMNAGRM2KMT2A
SCHEMBL28656719 0.69 MGAT2 (0.43) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL4979339 0.69 HTR7 (0.48) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL5439922 0.68 ALDH1A1 (0.73) MAPTTP53LMNAGRM2KMT2A
SCHEMBL17392844 0.68 MAPK14 (0.70) MAPTTP53LMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350043-B2 Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA, INC. (US) 2013-01-08 — — US disclosed
US-8350043-B2 Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA, INC. (US) 2013-01-08 — — US disclosed
US-20070037822-A1 Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2007-02-15 — — US disclosed
US-20070037822-A1 Azinone and diazinone V3 inhibitors for depression and stress disorders PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2007-02-15 — — US disclosed
WO-2006133242-A2 AZINONE AND DIAZINONE V3 INHIBITORS FOR DEPRESSION AND STRESS DISORDERS PHARMACOPEIA, INC. (US) 2006-12-14 — — 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-20070037822-A1 Azinone and diazinone V3 inhibitors for depression and stress disorders HTR3C, HTR3A, AZI2 MAPT 3824/4885TP53 2065/4885LMNA 3616/4885

“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.

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