SCHEMBL4993860

SCHEMBL4993860

CCOC(=O)c1ccc(NC(=O)OCC2(C(=O)NCc3ccccc3Cl)CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.53
MAPT P10636 7/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HTT P42858 1/20 0.50
NAMPT P43490 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL4779319 0.93 MAPT (0.48) NPSR1MAPTMEN1KMT2AHTT
SCHEMBL4726465 0.91 TP53 (0.42) NPSR1MAPTMEN1KMT2AHTT
SCHEMBL14092426 0.90 MAPT (0.46) NPSR1MAPTMEN1KMT2AHTT
SCHEMBL4997024 0.90 POLB (0.49) NPSR1MEN1KMT2APOLBRAB9A
SCHEMBL4993735 0.88 MEN1 (0.42) NPSR1MAPTMEN1KMT2APOLB
SCHEMBL14092501 0.88 NPC1 (0.45) MAPTMEN1KMT2ACYP2C9CYP2C19
SCHEMBL4999028 0.88 NPC1 (0.44) MAPTMEN1KMT2APOLBRAB9A
SCHEMBL4780481 0.86 NPC1 (0.42) MAPTMEN1KMT2AHTTPOLB
SCHEMBL14092454 0.86 SMN1; SMN2 (0.44) MAPTMEN1KMT2AHTTCYP2C9
SCHEMBL14092447 0.86 GAA (0.42) MAPTMEN1KMT2AHTTCYP2C9

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-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 claimed
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-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 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-20080194633-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 NPSR1 3598/4885MAPT 530/4885MEN1 665/4885

“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.