SCHEMBL5982136

SCHEMBL5982136

CC(C)(C)OC(=O)N(CCCCC=O)CCc1cccc(-c2c[nH]c3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.39
NAMPT P43490 1/20 0.39
ASH1L Q9NR48 3/20 0.38
MC5R P33032 6/20 0.38
MC3R P41968 6/20 0.38
MC4R P32245 4/20 0.38
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
BRD4 O60885 1/20 0.35
PTPN1 P18031 1/20 0.35
KMT2A Q03164 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4854966 0.86 MC5R (0.43) ASH1LMC5RMC3RMC4RKMT2A
SCHEMBL4863063 0.85 TACR1 (0.39) HDAC1NAMPTHDAC3HDAC2KMT2A
SCHEMBL4862456 0.84 NAMPT (0.42) HDAC1NAMPTMC5RMC3RMC4R
SCHEMBL4851398 0.81 TACR1 (0.38) HDAC1NAMPTHDAC3HDAC2NCOR2
SCHEMBL4860073 0.75 GRM2 (0.35) BRD4
SCHEMBL5982135 0.73 POLB (0.47) NAMPTMC5RMC3RMC4RKMT2A
SCHEMBL4861372 0.73 HTT (0.36) BRD4
SCHEMBL4856817 0.73 CDK4 (0.41) HDAC1KMT2AMEN1MAPT
SCHEMBL4862452 0.73 POLB (0.47) NAMPTMC5RMC3RMC4RKMT2A
SCHEMBL4858788 0.72 CYP11B1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 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
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HDAC1 1053/4885NAMPT 2313/4885ASH1L 2010/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 HDAC1 1053/4885NAMPT 2313/4885ASH1L 2010/4885

“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.