SCHEMBL8266136

SCHEMBL8266136

CCn1ncc2c1Nc1ccccc1NC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.38
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR5A P47898 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B3 P37058 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
BRPF1 P55201 1/20 0.30

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
SCHEMBL2629042 0.83 HTR5A (0.32) HTR5AALDH1A1MEN1KMT2AGAA
SCHEMBL4828802 0.83 RECQL (0.41) TSPOHSD17B10ALDH1A1BRD4
SCHEMBL1496015 0.80 TSPO (0.48) TSPOALOX15HSD17B10HTR5AGAA
Hydrochloric Acid SCHEMBL25255088 0.79 TSPO (0.47) TSPOALOX15HSD17B10HTR5ABRPF1
SCHEMBL20277597 0.77 ALOX15 (0.37) TSPOALOX15HSD17B10HTR5AMEN1
SCHEMBL16300951 0.76 TSPO (0.48) TSPOBRD4CREBBP
Phosphoric Acid SCHEMBL25258829 0.74 TSPO (0.49) TSPOHSD17B3
SCHEMBL2616338 0.73 TSPO (0.43) TSPOALDH1A1
Cadaverine Tartrate SCHEMBL25302081 0.70 TSPO (0.47) TSPOALOX15HSD17B3
Tartaric Acid SCHEMBL29437225 0.70 TSPO (0.47) TSPOALOX15HSD17B3

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 11 patents. 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
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
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-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
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 TSPO 1733/4885ALOX15 923/4885HSD17B10 1709/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B TSPO 1733/4885ALOX15 923/4885HSD17B10 1709/4885

“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.