SCHEMBL14825540

SCHEMBL14825540

CCOC(=O)c1cccc(CN2CCN(C(c3ccccc3)c3ccc(F)c(F)c3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 3/20 0.45
KCNH2 Q12809 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 2/20 0.43
USP2 O75604 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPN P05981 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2C P18825 1/20 0.43
CNR1 P21554 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL14825513 0.91 OPRD1 (0.48) OPRD1MEN1KMT2AATMKCNH2
SCHEMBL14825614 0.91 ATM (0.53) OPRD1MEN1KMT2AATMKCNH2
SCHEMBL14825469 0.89 CACNA2D1 (0.53) OPRD1MEN1KMT2AATMKCNH2
SCHEMBL14825668 0.89 OPRD1 (0.48) OPRD1MEN1KMT2AATMKCNH2
SCHEMBL14825481 0.88 CYP1A2 (0.44) OPRD1MEN1KMT2AATMKCNH2
SCHEMBL14825542 0.88 ATM (0.51) OPRD1MEN1KMT2AATMKCNH2
SCHEMBL14825527 0.87 ATM (0.47) OPRD1MEN1KMT2AATMKCNH2
SCHEMBL14825846 0.87 OPRD1 (0.51) OPRD1MEN1KMT2AATMKCNH2
SCHEMBL14825497 0.83 CYP1A2 (0.45) OPRD1MEN1KMT2AATMKCNH2
SCHEMBL14825368 0.83 BCHE (0.46) KCNH2CHRM2ADRA2AADORA3CHRM1

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-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-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 OPRD1 129/4885MEN1 2318/4885KMT2A 524/4885

“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.