SCHEMBL8264452

SCHEMBL8264452

Nc1cc(NC2CC2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ROCK2 O75116 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NUDT1 P36639 1/20 0.36
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL3784751 0.91 MAPT (0.46) TP53TSHRCA12CA1CA2
SCHEMBL29793652 0.78 MAPT (0.45) TSHRNPC1RAB9APOLBMAPT
SCHEMBL28817803 0.78 MAPT (0.45) TSHRNPC1RAB9APOLBMAPT
SCHEMBL9505550 0.77 KMT2A (0.52) TSHRNPC1RAB9APOLBMAPT
SCHEMBL8265358 0.77 POLB (0.40) ROCK2POLBMAPTNPSR1FPR2
SCHEMBL10184808 0.77 ABL1 (0.46) POLBMAPTNPSR1FPR2PROKR1
SCHEMBL3792014 0.77 MAPT (0.46) TSHRCA12CA1CA2CA7
SCHEMBL1566944 0.74 MAPT (0.57) TSHRNPC1RAB9APOLBMAPT
SCHEMBL7790025 0.74 TRPA1 (0.47) CA2CA9NPC1RAB9APOLB
SCHEMBL13618139 0.74 P2RX7 (0.46) CA1CA2CA7ROCK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (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-20110263560-A1 Organic Compounds REN, ACE, OTC TP53 3015/4885TSHR 2757/4885CA12 2345/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO TP53 4089/4885TSHR 3249/4885CA12 2337/4885

“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.