SCHEMBL2616330

SCHEMBL2616330

CN1CCCOc2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
RECQL P46063 1/20 0.39
MAP3K14 Q99558 3/20 0.38
NR1I2 O75469 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
PTGS2 P35354 1/20 0.38
OPRK1 P41145 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE4D Q08499 1/20 0.38
NPY5R Q15761 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL25443617 0.90 CYP11B1 (0.51) CYP11B1CYP11B2POLBL3MBTL1NOTUM
SCHEMBL13698998 0.81 CYP11B1 (0.43) CYP11B1CYP11B2POLBL3MBTL1NOTUM
SCHEMBL28570739 0.80 CYP11B1 (0.43) CYP11B1CYP11B2POLBNOTUMALDH1A1
SCHEMBL31371786 0.78 DRD2 (0.45) CYP11B1CYP11B2L3MBTL1NOTUMNPY5R
SCHEMBL23920324 0.77 MAPT (0.48) CYP11B1CYP11B2POLBL3MBTL1LMNA
SCHEMBL9228795 0.75 NOTUM (0.49) CYP11B1CYP11B2POLBNOTUMHTT
SCHEMBL13145768 0.72 AR (0.42) POLBL3MBTL1MAP3K14NPY5RTP53
SCHEMBL13180185 0.72 NPY5R (0.45) L3MBTL1MAP3K14NPY5RLMNATP53
SCHEMBL23903579 0.72 PIK3CA (0.40) POLBL3MBTL1MAP3K14NPY5RTP53
SCHEMBL2062755 0.71 MAPT (0.43) CYP11B1CYP11B2POLBALDH1A1CHRNA4

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
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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 (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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B CYP11B1 893/4885CYP11B2 1024/4885POLB 3509/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B CYP11B1 893/4885CYP11B2 1024/4885POLB 3509/4885

“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.