SCHEMBL10156581

SCHEMBL10156581

CNCCc1ccc(CCNC)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.76
SIGMAR1 Q99720 2/20 0.76
TMEM97 Q5BJF2 1/20 0.76
ATM Q13315 2/20 0.75
MAPT P10636 2/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
MAPK1 P28482 1/20 0.60
THPO P40225 1/20 0.60
HIF1A Q16665 1/20 0.60
HSD17B10 Q99714 1/20 0.60
KDM4E B2RXH2 1/20 0.58
GMNN O75496 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
BLM P54132 1/20 0.58

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
SCHEMBL680368 0.89 TAAR1 (0.64) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL3060595 0.89 TAAR1 (0.64) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL17919923 0.89 TAAR1 (0.64) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL3063318 0.89 TAAR1 (0.64) TAAR1SIGMAR1TMEM97ATMMAPT
Hydrochloric Acid SCHEMBL1026061 0.87 TAAR1 (0.61) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL681408 0.87 TAAR1 (1.00) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL21675761 0.87 TAAR1 (0.61) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL22330619 0.87 TAAR1 (0.68) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL17922518 0.87 TAAR1 (0.61) TAAR1SIGMAR1TMEM97ATMMAPT
SCHEMBL274906 0.87 TMEM97 (1.00) TAAR1SIGMAR1TMEM97ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3693022-A2 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. (US) 2020-08-12 EP disclosed
EP-3242688-B1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS REILEY PHARMACEUTICALS INC (US) 2020-01-29 EP disclosed
US-20160200752-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. 2016-07-14 US disclosed
WO-2016111834-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS Reiley Pharmaceuticals, Inc. (US) 2016-07-14 WO disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US 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 (2 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-20160200752-A1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS PTGS2, PTGES2, TOP2A TAAR1 3550/4885SIGMAR1 3301/4885TMEM97 1943/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 TAAR1 2091/4885SIGMAR1 191/4885TMEM97 1595/4885

“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.