SCHEMBL2086898

SCHEMBL2086898

NC1CC1Cc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.48
TAAR1 Q96RJ0 2/20 0.46
IDO1 P14902 3/20 0.44
PKM P14618 1/20 0.41
CXCR4 P61073 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 1/20 0.40
P2RX7 Q99572 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL28938659 0.82 IDO1 (0.45) PNMTTAAR1IDO1PKMCXCR4
Oxirane SCHEMBL28486383 0.76 CYP2A13 (0.45) PNMTTAAR1IDO1PKMCYP3A4
SCHEMBL1119464 0.72 MEN1 (0.58) PNMTTAAR1IDO1PKMCXCR4
SCHEMBL27196337 0.72 CXCR4 (0.42) PNMTTAAR1IDO1PKMCXCR4
SCHEMBL7863226 0.70 MAOB (0.44) TAAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22919236 0.70 MAOB (0.44) TAAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5146706 0.70 CXCR4 (0.43) PNMTTAAR1CXCR4MEN1KMT2A
SCHEMBL3550805 0.70 CXCR4 (0.43) PNMTTAAR1CXCR4MEN1KMT2A
SCHEMBL3534749 0.69 TAAR1 (0.51) PNMTTAAR1IDO1PKMCXCR4
SCHEMBL23830937 0.68 SLC6A4 (0.45) PNMTTAAR1IDO1CXCR4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 PNMT 108/4885TAAR1 199/4885IDO1 1672/4885

“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.