SCHEMBL13647161

SCHEMBL13647161

CNC(=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.49
▸ MTNR1B P49286 2/20 0.49
▸ LMNA P02545 1/20 0.47
▸ TACR1 P25103 2/20 0.46
▸ CASR P41180 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ BCAT2 O15382 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ SLC1A2 P43004 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43
▸ P2RX7 Q99572 1/20 0.43

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
SCHEMBL14559554 0.83 PKM (0.49) MTNR1AMTNR1BLMNATACR1CASR
SCHEMBL2091812 0.80 MTNR1A (0.67) MTNR1AMTNR1BLMNATACR1BCAT2
SCHEMBL2726717 0.79 LMNA (0.53) MTNR1AMTNR1BLMNATACR1BCAT2
SCHEMBL12000489 0.77 KMT2A (0.53) MTNR1AMTNR1BLMNATACR1CASR
SCHEMBL9767143 0.76 LMNA (0.47) LMNACASR
SCHEMBL3903374 0.76 BCAT2 (0.72) MTNR1AMTNR1BLMNATACR1BCAT2
SCHEMBL6457385 0.76 CNR2 (0.52) LMNASLC6A3SMN1; SMN2ALDH1A1RECQL
SCHEMBL17307874 0.76 ERCC1 (0.55) MTNR1AMTNR1BLMNATACR1CASR
SCHEMBL8005868 0.75 POLB (0.60) LMNACASRSMN1; SMN2ALDH1A1
SCHEMBL9504011 0.75 HTT (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 — — EP disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 — — US disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 — — US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — US disclosed
EP-1309566-B1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-07 — — EP 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-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 MTNR1A 1677/4885MTNR1B 1673/4885LMNA 1220/4885

“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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