SCHEMBL1857271

SCHEMBL1857271

NCC1CCN(c2ccc(N(C=O)Cc3cccnc3)c(NCCc3cccc(F)c3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.42
OGA O60502 2/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
GBA1 P04062 1/20 0.39
PIM1 P11309 3/20 0.37
PIK3CA P42336 2/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PIM2 Q9P1W9 1/20 0.34
BPTF Q12830 1/20 0.33
PKM P14618 1/20 0.33
F10 P00742 1/20 0.33
CCNT1 O60563 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
SCHEMBL1856666 0.96 PRKCQ (0.40) PRKCQOGAOPRM1OPRD1GBA1
SCHEMBL1854763 0.93 OPRM1 (0.40) PRKCQOGAOPRM1OPRD1GBA1
SCHEMBL1864445 0.91 OPRM1 (0.40) PRKCQOGAOPRM1OPRD1GBA1
SCHEMBL1858637 0.91 OPRM1 (0.41) PRKCQOGAOPRM1OPRD1GBA1
SCHEMBL1858732 0.90 OPRM1 (0.39) PRKCQOGAOPRM1OPRD1GBA1
SCHEMBL1858140 0.90 OPRM1 (0.39) PRKCQOGAOPRM1OPRD1GBA1
SCHEMBL1860412 0.90 OPRM1 (0.39) PRKCQOGAOPRM1OPRD1GBA1
SCHEMBL1856869 0.90 GBA1 (0.42) OGAOPRM1OPRD1GBA1PIK3CA
SCHEMBL1861373 0.90 GBA1 (0.42) OGAOPRM1OPRD1GBA1PIK3CA
SCHEMBL1856601 0.90 OPRM1 (0.40) PRKCQOGAOPRM1OPRD1GBA1

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 PRKCQ 91/4885OGA 3560/4885OPRM1 1013/4885

“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.