SCHEMBL1856503

SCHEMBL1856503

CN1CCN(c2ccc(N(C=O)Cc3cccnc3)c(NCCc3cccc(F)c3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
CDK2 P24941 2/20 0.41
GBA1 P04062 1/20 0.41
HRH4 Q9H3N8 4/20 0.40
HTR2C P28335 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL1856869 0.93 GBA1 (0.42) OPRM1OPRD1GBA1OGAPIK3CA
SCHEMBL1861373 0.93 GBA1 (0.42) OPRM1OPRD1GBA1OGAPIK3CA
SCHEMBL1854881 0.91 OPRM1 (0.42) OPRM1OPRD1GBA1OGAPIK3CA
SCHEMBL1856055 0.91 PIK3CA (0.47) OPRM1OPRD1GBA1OGANTRK1
SCHEMBL1858637 0.89 OPRM1 (0.41) OPRM1OPRD1GBA1OGAPIK3CA
SCHEMBL1854763 0.88 OPRM1 (0.40) OPRM1OPRD1GBA1OGAPIK3CA
SCHEMBL1857271 0.88 PRKCQ (0.42) OPRM1OPRD1GBA1OGAPIK3CA
SCHEMBL1855264 0.88 OPRM1 (0.41) OPRM1OPRD1GBA1OGAPIK3CA
SCHEMBL1853059 0.88 OPRM1 (0.41) OPRM1OPRD1GBA1OGAPIK3CA
SCHEMBL1854335 0.87 OPRM1 (0.41) OPRM1OPRD1GBA1OGAPIK3CA

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 OPRM1 1013/4885OPRD1 3277/4885CDK2 941/4885

“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.