SCHEMBL4294309

SCHEMBL4294309

COC(=O)C1(CO)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
OPRM1 P35372 2/20 0.39
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31
MMP2 P08253 1/20 0.30
MMP13 P45452 1/20 0.30
ADAM17 P78536 1/20 0.30

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
SCHEMBL1503918 0.85
SCHEMBL16310454 0.84 OPRM1 (0.42) CYP4F2CYP4A11OPRM1KDM4EKMT2A
Hydrochloric Acid SCHEMBL23727034 0.82 OPRM1 (0.41) CYP4F2CYP4A11OPRM1KDM4EKMT2A
SCHEMBL7370030 0.82 KDM4E (0.40) CYP4F2CYP4A11OPRM1KDM4EKMT2A
SCHEMBL17150393 0.82 CYP4F2 (0.39) CYP4F2CYP4A11OPRM1KDM4EKMT2A
SCHEMBL761603 0.81 CYP4F2 (0.61) CYP4F2CYP4A11KMT2ANPSR1MAPT
SCHEMBL3952155 0.81 CYP4F2 (0.56) CYP4F2CYP4A11KMT2ANPSR1MAPT
SCHEMBL26667104 0.81 TP53 (0.38) CYP4F2CYP4A11OPRM1KDM4EKMT2A
SCHEMBL13268736 0.81 OPRM1 (0.50) OPRM1KDM4EKMT2AMAPTSMYD3
Hydrochloric Acid SCHEMBL20137680 0.79 OPRM1 (0.49) OPRM1KDM4EKMT2AMAPTSMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071625-B2 E.g., [(1-(2-aminoacetyl)-4-{N-[(3-fluoro-2-methylphenyl)methyl]carbamoyl}(4-piperidyl))methoxy]-N-(4-ethylphenyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-12-06 US disclosed
US-8071625-B2 E.g., [(1-(2-aminoacetyl)-4-{N-[(3-fluoro-2-methylphenyl)methyl]carbamoyl}(4-piperidyl))methoxy]-N-(4-ethylphenyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-12-06 US disclosed
US-8071625-B2 E.g., [(1-(2-aminoacetyl)-4-{N-[(3-fluoro-2-methylphenyl)methyl]carbamoyl}(4-piperidyl))methoxy]-N-(4-ethylphenyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-12-06 US disclosed
US-20090264466-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-22 US disclosed
US-20090264466-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-22 US disclosed
US-20090264466-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-22 US disclosed
US-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 US disclosed
US-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 US disclosed
US-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 US disclosed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed
CN-1079466-A 4-or 5-(sulphur) acylimino-and (inferior sulphur) amidopyridine and pyridine-N-oxide thereof HOECHST AG (DE) 1993-12-15 CN 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 (2 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-20080194633-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CYP4F2 2882/4885CYP4A11 1621/4885OPRM1 826/4885
US-20090264466-A1 Certain Chemical Entities, Compositions and Methods MYLK, MYH2, MYH10 CYP4F2 2631/4885CYP4A11 1628/4885OPRM1 835/4885

“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.