SCHEMBL1495904

SCHEMBL1495904

O=C(OCc1ccccc1)N1CCC(CNC2CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.67
CYP2D6 P10635 4/20 0.66
CYP2C9 P11712 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
CYP3A4 P08684 3/20 0.62
CYP2C19 P33261 1/20 0.61
TPSAB1 Q15661 1/20 0.57
TPSD1 Q9BZJ3 1/20 0.57
TPSG1 Q9NRR2 1/20 0.57
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
F13A1 P00488 1/20 0.54
TGM2 P21980 1/20 0.54
TGM1 P22735 1/20 0.54

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
SCHEMBL4913258 0.95 GRIN2B (0.64) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL31210641 0.88 SMN1; SMN2 (0.54) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL31714072 0.88 GRIN2B (0.56) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL30492326 0.88 GRIN2B (0.58) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL30228590 0.88 GRIN2B (0.58) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL30492373 0.88 GRIN2B (0.58) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL4286977 0.86 GRIN2B (0.69) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL10153811 0.86 GRIN2B (0.69) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL30625217 0.86 GRIN2B (0.69) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL29532829 0.85 GRIN2B (0.67) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1

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
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-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 GRIN2B 1167/4885CYP2D6 1173/4885CYP2C9 2146/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B GRIN2B 1167/4885CYP2D6 1173/4885CYP2C9 2146/4885

“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.