SCHEMBL1495885

SCHEMBL1495885

O=C1CCCN(C(=O)c2ccccc2)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
HPGD P15428 2/20 0.58
HTT P42858 2/20 0.55
AVPR2 P30518 1/20 0.52
OXTR P30559 1/20 0.52
AVPR1A P37288 1/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL842907 0.92 HPGD (0.64) ALDH1A1HPGDHTTAVPR2OXTR
SCHEMBL6991836 0.88 AVPR2 (0.65) ALDH1A1HPGDHTTAVPR2OXTR
SCHEMBL7347078 0.84 AVPR2 (0.71) ALDH1A1HTTAVPR2OXTRAVPR1A
SCHEMBL6990464 0.84 ALDH1A1 (0.52) ALDH1A1HPGDHTTTSHRLMNA
SCHEMBL25561676 0.82 PDE4A (0.49) ALDH1A1HTTTSHRLMNAUSP2
SCHEMBL68111 0.82 KCNN4 (0.68) ALDH1A1HPGDHTTAVPR2AVPR1A
SCHEMBL6988182 0.81 ALDH1A1 (0.54) ALDH1A1AVPR2OXTRAVPR1ATSHR
SCHEMBL6198498 0.81 ALDH1A1 (0.81) ALDH1A1HPGDAVPR2OXTRAVPR1A
SCHEMBL29463754 0.81 ALDH1A1 (0.81) ALDH1A1HPGDAVPR2OXTRAVPR1A
SCHEMBL642025 0.81 NOTUM (0.70) ALDH1A1HTTTSHRLMNARAB9A

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 ALDH1A1 902/4885HPGD 286/4885HTT 1873/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B ALDH1A1 902/4885HPGD 286/4885HTT 1873/4885

“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.