SCHEMBL14825474

SCHEMBL14825474

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 4/20 0.52
▸ CACNA1B Q00975 4/20 0.52
▸ CACNB1 Q02641 4/20 0.52
▸ CACNA1C Q13936 3/20 0.52
▸ OPRD1 P41143 7/20 0.51
▸ CACNA1G O43497 1/20 0.48
▸ KCNH2 Q12809 6/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HPN P05981 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ CNR1 P21554 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
SCHEMBL14825838 0.93 OPRD1 (0.55) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL14825403 0.93 OPRD1 (0.58) OPRD1KCNH2ATMMEN1KMT2A
SCHEMBL14825515 0.89 OPRD1 (0.51) OPRD1KCNH2CYP3A4USP2CYP1A2
SCHEMBL14825842 0.89 OPRD1 (0.54) OPRD1KCNH2ATMMEN1KMT2A
SCHEMBL14825477 0.88 CACNA2D1 (0.55) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL14825424 0.87 OPRD1 (0.55) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL14825488 0.86 OPRD1 (0.46) OPRD1KCNH2OPRM1ATMMEN1
SCHEMBL14825534 0.84 OPRD1 (0.49) OPRD1KCNH2ATMMEN1KMT2A
SCHEMBL14825469 0.84 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL14825362 0.83 OPRD1 (0.48) CACNA1BOPRD1KCNH2CHRM2ADORA3

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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