SCHEMBL2629043

SCHEMBL2629043

Cn1ncc2c1Nc1cc(F)ccc1NC2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 3/20 0.37
▸ CHRM1 P11229 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ HTR5A P47898 4/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ AVPR1A P37288 3/20 0.32
▸ OXTR P30559 1/20 0.31

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
SCHEMBL29990044 0.94 CHRM1 (0.34) TSPOCHRM1HRH1PAK1HTR5A
SCHEMBL21379060 0.94 CHRM1 (0.34) TSPOCHRM1HRH1PAK1HTR5A
SCHEMBL1495917 0.84 TSPO (0.37) TSPOHTR5AAVPR1AOXTR
SCHEMBL21397117 0.83 HTR5A (0.39) CHRM1HRH1PAK1HTR5ANR3C2
SCHEMBL1495860 0.83 TSPO (0.37) TSPOCHRM1HRH1HTR5AAVPR1A
SCHEMBL1496015 0.81 TSPO (0.48) TSPOHTR5AAVPR1AOXTR
Hydrochloric Acid SCHEMBL25255088 0.80 TSPO (0.47) TSPOHTR5AAVPR1AOXTR
SCHEMBL21379004 0.79 TSPO (0.35) TSPOHTR5AAVPR1AOXTR
SCHEMBL21379279 0.78 TSPO (0.34) TSPOCHRM1HRH1HTR5AAVPR1A
SCHEMBL21396613 0.78 AVPR1A (0.37) TSPOCHRM1AVPR1AOXTR

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 9 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
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

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 1733/4885CHRM1 1568/4885HRH1 246/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B TSPO 1733/4885CHRM1 1568/4885HRH1 246/4885

“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.

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