Sugi Predict

Sugi Predict / Compounds / SCHEMBL1855474

SCHEMBL1855474

SCHEMBL1855474

O=CN(Cc1cccnc1)c1ccc(N2CCC[C@H](O)C2)nc1NCCc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ VNN1 O95497 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ OGA O60502 1/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PRKCQ Q04759 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
SCHEMBL1854193 0.96 OPRM1 (0.40) OPRM1OPRD1GBA1IDH1VNN1
SCHEMBL1853739 0.96 OPRM1 (0.40) OPRM1OPRD1GBA1IDH1VNN1
SCHEMBL1858637 0.91 OPRM1 (0.41) OPRM1OPRD1GBA1PIM1VNN1
SCHEMBL1861373 0.90 GBA1 (0.42) OPRM1OPRD1GBA1CSNK2A2CSNK2A1
SCHEMBL1856869 0.90 GBA1 (0.42) OPRM1OPRD1GBA1CSNK2A2CSNK2A1
SCHEMBL1855264 0.90 OPRM1 (0.41) OPRM1OPRD1GBA1IDH1CSNK2A2
SCHEMBL1853059 0.90 OPRM1 (0.41) OPRM1OPRD1GBA1IDH1CSNK2A2
SCHEMBL1858140 0.89 OPRM1 (0.39) OPRM1OPRD1GBA1PIM1CSNK2A2
SCHEMBL1858732 0.89 OPRM1 (0.39) OPRM1OPRD1GBA1PIM1CSNK2A2
SCHEMBL1860412 0.89 OPRM1 (0.39) OPRM1OPRD1GBA1PIM1CSNK2A2

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.