SCHEMBL4996569

SCHEMBL4996569

CCc1ccc(NC(=O)NCC2(C(=O)NCc3ccccc3Cl)CCN(C(=O)CO)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
METAP2 P50579 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EPHX2 P34913 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.40
ALOX15 P16050 1/20 0.40
CNR1 P21554 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL4996498 0.88 RAB9A (0.51) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4996127 0.88 MAPT (0.40) RAB9ANPC1METAP2MEN1KMT2A
SCHEMBL14092465 0.87 MAPT (0.40) RAB9ANPC1METAP2EPHX2MAPT
SCHEMBL14092463 0.84 MEN1 (0.47) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4726588 0.84 RAB9A (0.46) RAB9ANPC1METAP2MEN1KMT2A
SCHEMBL4991616 0.83 METAP2 (0.38) RAB9ANPC1METAP2MAPTTP53
SCHEMBL4995339 0.81 CYP2D6 (0.42) RAB9ANPC1METAP2MAPTTP53
SCHEMBL4992770 0.81 MEN1 (0.47) RAB9ANPC1METAP2MEN1KMT2A
SCHEMBL4777021 0.80 MAPT (0.39) RAB9ANPC1METAP2KMT2AMAPT
SCHEMBL4777600 0.80 MAPT (0.40) RAB9ANPC1METAP2MEN1KMT2A

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 RAB9A 2065/4885NPC1 4684/4885METAP2 967/4885

“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.