SCHEMBL239960

SCHEMBL239960

Cc1ccc2c(c1)-c1[nH]c(N3CCOCC3)nc1CCN2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
GAA P10253 1/20 0.40
ACHE P22303 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
CDC7 O00311 2/20 0.36
DBF4 Q9UBU7 2/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL254413 0.86 TSHR (0.38) ARALDH1A1TSHRTP53HSD17B10
SCHEMBL8267284 0.79 PARP10 (0.39) GAAALDH1A1KMT2AMEN1HSD17B10
SCHEMBL195738 0.70 MAPT (0.42) ALDH1A1TP53KMT2AMEN1HSD17B10
SCHEMBL19145306 0.68 TP53 (0.64) GAAACHEALDH1A1TP53KMT2A
SCHEMBL2131766 0.66 TYMS (0.46) ALDH1A1TSHRPIM1LMNASMN1; SMN2
SCHEMBL13950049 0.65 PARP10 (0.47) GAAALDH1A1KMT2AMEN1HSD17B10
SCHEMBL1496025 0.65 BRD4 (0.44) GAAACHEALDH1A1TP53KMT2A
SCHEMBL7485542 0.63 PIK3CB (0.47) ALDH1A1TSHRTP53KMT2AMEN1
SCHEMBL2124845 0.62 POLB (0.39) GAAALDH1A1KMT2AMEN1HSD17B10
SCHEMBL5546719 0.62 ALDH1A1 (0.58) GAAALDH1A1TP53KMT2AMEN1

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
EP-2401279-A1 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS Vantia Limited (GB) 2012-01-04 EP disclosed
US-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2011-12-22 US disclosed
WO-2010097576-A9 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-10-21 WO disclosed
WO-2010097576-A1 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-09-02 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-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS AVPR2, AVPR1A, AVPR1B AR 929/4885GAA 4533/4885ACHE 4329/4885

“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.