SCHEMBL1853985

SCHEMBL1853985

O=CN(Cc1cccnc1)c1ccc(N2CCC(C(F)(F)F)C2)nc1NCCc1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OGA O60502 2/20 0.37
VNN1 O95497 1/20 0.37
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CCNT1 O60563 1/20 0.34
PIK3CA P42336 2/20 0.33
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
PRKCQ Q04759 1/20 0.33
F10 P00742 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL1853059 0.93 OPRM1 (0.41) GBA1OPRM1OPRD1OGACSNK2A2
SCHEMBL1855264 0.93 OPRM1 (0.41) GBA1OPRM1OPRD1OGACSNK2A2
SCHEMBL1860412 0.90 OPRM1 (0.39) GBA1OPRM1OPRD1OGACSNK2A2
SCHEMBL1858140 0.90 OPRM1 (0.39) GBA1OPRM1OPRD1OGACSNK2A2
SCHEMBL1858732 0.90 OPRM1 (0.39) GBA1OPRM1OPRD1OGACSNK2A2
SCHEMBL1854193 0.90 OPRM1 (0.40) GBA1OPRM1OPRD1OGAVNN1
SCHEMBL1853739 0.90 OPRM1 (0.40) GBA1OPRM1OPRD1OGAVNN1
SCHEMBL1853631 0.88 OPRM1 (0.40) GBA1OPRM1OPRD1OGACSNK2A2
SCHEMBL1856707 0.88 OPRM1 (0.41) GBA1OPRM1OPRD1OGACSNK2A2
SCHEMBL1856601 0.88 OPRM1 (0.40) GBA1OPRM1OPRD1OGAVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939534-B2 e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-7939534-B2 e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US disclosed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 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-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 GBA1 4031/4885OPRM1 1013/4885OPRD1 3277/4885

“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.