SCHEMBL1495946

SCHEMBL1495946

CC(C)(C)OC(=O)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.51
GRIN2B Q13224 11/20 0.49
HTT P42858 1/20 0.49
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
HSD11B1 P28845 1/20 0.48
CYP3A4 P08684 3/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
FAAH O00519 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
YAP1 P46937 1/20 0.45

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
SCHEMBL4906595 0.96 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL31714035 0.91 HSD11B1 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL31211181 0.91 HSD11B1 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL30492423 0.90 HSD11B1 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL30492526 0.90 HSD11B1 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL30228841 0.90 HSD11B1 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL9008880 0.87 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL20660332 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2827198 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL3252914 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
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-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP 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
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2292621-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2011-03-09 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 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
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO 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 SMN1; SMN2 4623/4885NPC1 4072/4885RAB9A 668/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B SMN1; SMN2 4623/4885NPC1 4072/4885RAB9A 668/4885

“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.