SCHEMBL14825844

SCHEMBL14825844

O=C(O)c1ccnc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5C P41229 1/20 0.55
▸ KDM4C Q9H3R0 1/20 0.55
▸ SLC6A9 P48067 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ HRH1 P35367 6/20 0.52
▸ KCNH2 Q12809 3/20 0.52
▸ CACNA2D1 P54289 3/20 0.52
▸ CACNA1B Q00975 3/20 0.52
▸ CACNB1 Q02641 3/20 0.52
▸ CACNA1C Q13936 3/20 0.52
▸ USP2 O75604 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ SLC6A2 P23975 2/20 0.52
▸ HRH2 P25021 2/20 0.52
▸ HTR2A P28223 2/20 0.52
▸ SLC6A4 P31645 2/20 0.52
▸ DRD3 P35462 2/20 0.52
▸ HTR2B P41595 2/20 0.52
▸ SLC6A3 Q01959 2/20 0.52
▸ ADORA3 P0DMS8 2/20 0.52

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
SCHEMBL14825405 0.93 KDM5C (0.62) KDM5CKDM4CATMKCNH2CACNA2D1
SCHEMBL14825477 0.92 CACNA2D1 (0.55) KDM5CKDM4CATMHRH1KCNH2
SCHEMBL14825425 0.89 ATM (0.58) KDM5CKDM4CATMKCNH2CACNA2D1
SCHEMBL14825843 0.89 KDM5C (0.57) KDM5CKDM4CATMKCNH2DRD3
SCHEMBL14825838 0.87 OPRD1 (0.55) SLC6A9HRH1KCNH2CACNA2D1CACNA1B
SCHEMBL14825365 0.86 KDM4C (0.58) KDM5CKDM4CATMCACNA2D1CACNA1B
SCHEMBL14825519 0.85 KDM4C (0.53) KDM5CKDM4CATMKCNH2USP2
SCHEMBL14825535 0.83 KDM4C (0.53) KDM5CKDM4CATMKCNH2CACNA2D1
SCHEMBL14825493 0.83 KDM4C (0.55) KDM5CKDM4CATMKCNH2USP2
SCHEMBL14825332 0.81 BCHE (0.55) KDM5CKDM4CHRH1KCNH2CYP3A4

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 KDM5C 2930/4885KDM4C 3070/4885SLC6A9 2782/4885

“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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