SCHEMBL89846

SCHEMBL89846

COCCCN1CC(C)(C)Cc2ccc(NC3CC3)cc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.34
REN P00797 4/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SYK P43405 1/20 0.32
BRD4 O60885 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
CYP3A4 P08684 1/20 0.31
POLB P06746 1/20 0.31
INSR P06213 1/20 0.30
ALK Q9UM73 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL89378 0.78 ALDH1A1 (0.35) RENSYKBRD4ATAD2
SCHEMBL89352 0.72 CHRM1 (0.44) RENCYP3A4
SCHEMBL90462 0.69 REN (0.51) RENCYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL8255122 0.66 REN (0.40) RENCYP2D6CYP2C9BRD4ATAD2
SCHEMBL89662 0.66 REN (0.48) RENCYP2D6CYP2C9CYP2C19POLB
SCHEMBL89564 0.66 TSHR (0.57) RENCYP2D6CYP2C19CYP3A4POLB
SCHEMBL8252359 0.66 MAPT (0.53) POLB
SCHEMBL17013233 0.65 REN (0.34) REN
SCHEMBL8236634 0.65 ALDH1A1 (0.34) CYP2C9CYP2C19SYKBRD4ATAD2
SCHEMBL89485 0.64 REN (0.56) RENCYP2D6CYP2C9CYP3A4

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 OPRM1 95/4885REN 1/4885CYP2D6 479/4885

“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.