SCHEMBL13443057

SCHEMBL13443057

O=C(NCc1ccccc1)c1cc(-c2ccccc2)cnc1-c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 14/20 0.67
▸ HCRTR2 O43614 14/20 0.67
▸ HTR1A P08908 1/20 0.61
▸ OPRM1 P35372 1/20 0.61
▸ DRD3 P35462 1/20 0.61
▸ HTR2B P41595 1/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ HTT P42858 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51

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
SCHEMBL13443055 0.87 HCRTR1 (0.57) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL12024786 0.82 HCRTR1 (0.54) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3624972 0.82 HCRTR1 (0.59) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3624251 0.81 HCRTR1 (0.77) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3624546 0.81 HCRTR1 (0.77) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3621447 0.81 HCRTR1 (1.00) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3622216 0.81 HCRTR1 (1.00) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL30731018 0.79 HPGDS (0.56) HTTKMT2A
SCHEMBL3617294 0.79 HCRTR1 (1.00) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL12024779 0.79 HPGDS (0.55) HTTKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410142-B2 Bipyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-02 — — US disclosed
US-20100063056-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-03-11 — — 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 (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-20100063056-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR1 HCRTR1 2/4885HCRTR2 1/4885HTR1A 129/4885

“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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