SCHEMBL14825457

SCHEMBL14825457

O=C(O)c1cccnc1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ ATM Q13315 4/20 0.56
▸ CACNA1B Q00975 2/20 0.47
▸ CACNA2D1 P54289 1/20 0.47
▸ CACNB1 Q02641 1/20 0.47
▸ CACNA1C Q13936 1/20 0.47
▸ ACHE P22303 3/20 0.46
▸ LMNA P02545 3/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ OPRM1 P35372 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ CACNA1G O43497 1/20 0.45
▸ CACNA1H O95180 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
SCHEMBL14825458 0.85 MEN1 (0.47) MEN1KMT2AATMCACNA1BACHE
SCHEMBL14825834 0.82 ATM (0.56) MEN1KMT2AATMCACNA1BCACNA2D1
SCHEMBL14825466 0.80 MEN1 (0.60) MEN1KMT2AATMCACNA1BCACNA2D1
SCHEMBL14825429 0.78 BCHE (0.52) CYP2D6OPRM1CHRM2HTR1AADRA2A
SCHEMBL14825830 0.77 ATM (0.53) MEN1KMT2AATMCACNA1BCACNA2D1
SCHEMBL14825460 0.77 ATM (0.53) MEN1KMT2AATMCACNA1BCACNA2D1
SCHEMBL14825836 0.77 ATM (0.58) MEN1KMT2AATMCACNA1BCACNA2D1
SCHEMBL14825456 0.76 ATM (0.54) MEN1KMT2AATMCACNA1BCACNA2D1
SCHEMBL14825468 0.76 ATM (0.60) MEN1KMT2AATMCACNA1BCACNA2D1
SCHEMBL14825827 0.75 ATM (0.59) MEN1KMT2AATMCACNA1BCACNA2D1

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 MEN1 2318/4885KMT2A 524/4885ATM 3898/4885

“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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