SCHEMBL1495892

SCHEMBL1495892

Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccccc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.50
AVPR1A P37288 2/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
KMT2A Q03164 2/20 0.45
STAT3 P40763 1/20 0.40
KCNN4 O15554 1/20 0.40
KCNA3 P22001 1/20 0.40
LMNA P02545 4/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
BRD4 O60885 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
PDCD1 Q15116 1/20 0.38

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
SCHEMBL6993115 0.88 AVPR2 (0.45) AVPR2AVPR1AALDH1A1HPGDRAB9A
SCHEMBL6987369 0.86 AVPR2 (0.47) AVPR2AVPR1AALDH1A1RAB9ASMN1; SMN2
SCHEMBL1821311 0.85 AVPR2 (0.56) AVPR2AVPR1AALDH1A1TSHRUSP2
Hydrochloric Acid SCHEMBL6990553 0.85 AVPR2 (0.47) AVPR2AVPR1ARAB9ASMN1; SMN2KMT2A
SCHEMBL2704973 0.84 AVPR2 (0.44) AVPR2AVPR1AALDH1A1HPGDRAB9A
Conivaptan SCHEMBL4625101 0.84 AVPR2 (0.75) AVPR2AVPR1AOXTR
Conivaptan SCHEMBL29406590 0.84 AVPR2 (0.75) AVPR2AVPR1AOXTR
SCHEMBL6986559 0.83 AVPR1A (0.62) AVPR2AVPR1AOXTR
SCHEMBL7019597 0.83 ROCK2 (0.46) AVPR2AVPR1ARAB9ASMN1; SMN2LMNA
Conivaptan SCHEMBL387232 0.83 AVPR2 (0.74) AVPR2AVPR1AOXTR

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-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-1632494-A1 Vasopressin v1a antagonists FERRING B.V. (NL) 2006-03-08 EP 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 AVPR2 2/4885AVPR1A 1/4885ALDH1A1 902/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B AVPR2 2/4885AVPR1A 1/4885ALDH1A1 902/4885

“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.