SCHEMBL6034798

SCHEMBL6034798

CN(CCCCC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)CCc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CACNA1G O43497 4/20 0.38
TAAR1 Q96RJ0 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
RECQL P46063 1/20 0.36
CASP7 P55210 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AOC3 Q16853 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
Hydrochloric Acid SCHEMBL4853295 0.99 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACACNA1GTAAR1
SCHEMBL13988082 0.89 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACACNA1GUSP2
SCHEMBL6035086 0.86 MAOB (0.48) ALDH1A1BCHEACHE
Hydrochloric Acid SCHEMBL4859645 0.85 MAOB (0.48) ALDH1A1BCHEACHE
SCHEMBL4860599 0.82 POLB (0.44) ALDH1A1MEN1KMT2ATAAR1BCHE
Hydrochloric Acid SCHEMBL4857190 0.81 POLB (0.43) ALDH1A1MEN1KMT2ATAAR1BCHE
SCHEMBL6035073 0.81 MCHR1 (0.38) KMT2ATAAR1BCHEACHETDP1
SCHEMBL6034227 0.81 MCHR1 (0.40) TAAR1ACHETDP1
SCHEMBL6034805 0.81 TAAR1 (0.39) MEN1KMT2ATAAR1BCHEACHE
Hydrochloric Acid SCHEMBL4855279 0.80 MCHR1 (0.40) ACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 ALDH1A1 118/4885MEN1 2484/4885KMT2A 2316/4885

“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.