SCHEMBL8906354

SCHEMBL8906354

[O]CCCCc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 5/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYSLTR2 Q9NS75 3/20 0.46
▸ CYSLTR1 Q9Y271 3/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC2 Q92769 2/20 0.42

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
SCHEMBL8904769 0.94 PDE10A (0.48) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL2334595 0.88 CYSLTR2 (0.52) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL1262322 0.86 PDE10A (0.50) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL6798820 0.86 CYSLTR2 (0.53) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL2913941 0.82 PDE10A (0.61) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL8668220 0.81 PDE10A (0.46) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL860157 0.81 KCNH2 (0.58) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL4866792 0.81 HRH1 (0.49) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL9598037 0.81 CYSLTR1 (0.46) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL3028085 0.81 PDE10A (0.46) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320888-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2017-11-09 — — US disclosed
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 — — US disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 — — EP disclosed
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 — — US disclosed
EP-0555825-A1 Imidazo(1,2-a)pyridines as angiotensin-II-antagonists Dr. Karl Thomae GmbH (DE) 1993-08-18 — — EP 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 (1 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-20170320888-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR PDE10A 538/4885CYP1A2 1331/4885CYSLTR2 645/4885

“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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