SCHEMBL5001913

SCHEMBL5001913

O=C(NCc1ccccc1Cl)N1CCCC1CO

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.64
▸ HRH3 Q9Y5N1 4/20 0.52
▸ PKM P14618 1/20 0.51
▸ TACR1 P25103 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ AADAT Q8N5Z0 1/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL5001911 1.00 POLB (0.64) POLBHRH3PKMTACR1NPC1
SCHEMBL4727016 0.78 POLB (0.53) POLBHRH3TACR1ALDH1A1TP53
SCHEMBL4794378 0.76 POLB (0.51) POLBHRH3TACR1ALDH1A1TP53
SCHEMBL4990827 0.76 POLB (0.51) POLBHRH3TACR1ALDH1A1TP53
SCHEMBL4480837 0.75 TP53 (0.60) POLBRAB9AALDH1A1LMNATP53
SCHEMBL4480840 0.75 TP53 (0.60) POLBRAB9AALDH1A1LMNATP53
SCHEMBL11717344 0.74 EPHX2 (0.47) POLBHRH3
SCHEMBL14413553 0.74 EPHX2 (0.58) POLBPKMNPC1RAB9AALDH1A1
SCHEMBL11719448 0.73 KMT2A (0.70) POLBNPC1RAB9AALDH1A1
SCHEMBL14304106 0.72 CCR1 (0.67) POLBTACR1

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 2 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-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 POLB 2180/4885HRH3 1643/4885PKM 478/4885

“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.

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