Sugi Predict

Sugi Predict / Compounds / SCHEMBL1859015

SCHEMBL1859015

SCHEMBL1859015

CNC[C@@H]1CCN(c2ccc(N(C=O)Cc3cccnc3)c(NCCc3cccc(F)c3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ GBA1 P04062 1/20 0.38
▸ OGA O60502 2/20 0.38
▸ PRKCQ Q04759 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ IDH1 O75874 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ F10 P00742 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ CCR5 P51681 1/20 0.31

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
SCHEMBL1856234 0.92 OPRM1 (0.39) OPRM1OPRD1GBA1OGAPRKCQ
SCHEMBL1856666 0.91 PRKCQ (0.40) OPRM1OPRD1GBA1OGAPRKCQ
SCHEMBL1856601 0.91 OPRM1 (0.40) OPRM1OPRD1GBA1OGAPRKCQ
SCHEMBL1858432 0.91 OPRM1 (0.40) OPRM1OPRD1GBA1OGAPRKCQ
SCHEMBL1856707 0.90 OPRM1 (0.41) OPRM1OPRD1GBA1OGACSNK2A2
SCHEMBL1853059 0.90 OPRM1 (0.41) OPRM1OPRD1GBA1OGAPRKCQ
SCHEMBL1855264 0.90 OPRM1 (0.41) OPRM1OPRD1GBA1OGAPRKCQ
SCHEMBL1858732 0.89 OPRM1 (0.39) OPRM1OPRD1GBA1OGAPRKCQ
SCHEMBL1858140 0.89 OPRM1 (0.39) OPRM1OPRD1GBA1OGAPRKCQ
SCHEMBL1860412 0.89 OPRM1 (0.39) OPRM1OPRD1GBA1OGAPRKCQ

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 3277/4885GBA1 4031/4885

“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.