SCHEMBL14825477

SCHEMBL14825477

O=C(O)c1ccnc(CN2CCN(C(c3ccccc3)c3cccc(Cl)c3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 4/20 0.55
▸ CACNA1B Q00975 4/20 0.55
▸ CACNB1 Q02641 4/20 0.55
▸ CACNA1C Q13936 3/20 0.55
▸ CACNA1G O43497 1/20 0.53
▸ KDM5C P41229 1/20 0.53
▸ KDM4C Q9H3R0 1/20 0.53
▸ ATM Q13315 2/20 0.50
▸ HDAC1 Q13547 2/20 0.47
▸ KCNH2 Q12809 3/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ OPRD1 P41143 3/20 0.46
▸ OPRM1 P35372 2/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ OPRL1 P41146 1/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL14825844 0.92 KDM5C (0.55) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL14825405 0.92 KDM5C (0.62) CACNA2D1CACNA1BCACNB1CACNA1CKDM5C
SCHEMBL14825474 0.88 CACNA2D1 (0.52) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL14825519 0.88 KDM4C (0.53) KDM5CKDM4CATMHDAC1KCNH2
SCHEMBL14825843 0.87 KDM5C (0.57) KDM5CKDM4CATMHDAC1KCNH2
SCHEMBL14825425 0.85 ATM (0.58) CACNA2D1CACNA1BCACNB1CACNA1CKDM5C
SCHEMBL14825493 0.85 KDM4C (0.55) KDM5CKDM4CATMHDAC1KCNH2
SCHEMBL14825365 0.82 KDM4C (0.58) CACNA2D1CACNA1BCACNB1CACNA1CKDM5C
SCHEMBL14825535 0.82 KDM4C (0.53) CACNA2D1CACNA1BCACNB1CACNA1CKDM5C
SCHEMBL14825470 0.81 CACNA2D1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365553-B2 Heterocyclic compound and H1 receptor antagonist ASKA PHARMACEUTICAL CO., LTD. (JP) 2016-06-14 — — US disclosed
US-9365553-B2 Heterocyclic compound and H1 receptor antagonist ASKA PHARMACEUTICAL CO., LTD. (JP) 2016-06-14 — — US disclosed
EP-2578569-B1 HETEROCYCLIC RING COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA PHARM CO LTD (JP) 2015-10-28 — — EP disclosed
EP-2578569-A1 HETEROCYCLIC RING COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA Pharmaceutical Co., Ltd. (JP) 2013-04-10 — — EP disclosed
US-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA PHARMACEUTICAL CO., LTD (JP) 2013-04-04 — — US disclosed
US-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA PHARMACEUTICAL CO., LTD (JP) 2013-04-04 — — 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-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST HRH2, HRH4, HRH1 CACNA2D1 2370/4885CACNA1B 829/4885CACNB1 1223/4885

“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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