SCHEMBL4854966

SCHEMBL4854966

O=CCCCCN(CCc1cccc(-c2c[nH]c3ccccc23)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC5R P33032 13/20 0.43
MC3R P41968 13/20 0.43
ASH1L Q9NR48 2/20 0.42
MC4R P32245 12/20 0.42
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CFTR P13569 1/20 0.38

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
SCHEMBL5982136 0.86 HDAC1 (0.39) MC5RMC3RASH1LMC4RKMT2A
SCHEMBL4856817 0.82 CDK4 (0.41) KMT2A
SCHEMBL4861724 0.81 MC5R (0.43) MC5RMC3RMC4R
SCHEMBL4850317 0.77 CDK4 (0.39) MC5RMC3RMC4RKMT2A
SCHEMBL4863063 0.71 TACR1 (0.39) KMT2A
SCHEMBL4860773 0.71 MAPK1 (0.39) KMT2A
SCHEMBL4854961 0.70 ADAM17 (0.55) MC5RMC3RMC4RKMT2ACFTR
SCHEMBL4861714 0.70 ADAM17 (0.54) MC5RMC3RMC4RKMT2ACFTR
SCHEMBL7370732 0.69 ASH1L (0.55) ASH1LKMT2A
SCHEMBL2300936 0.69 ASH1L (0.52) ASH1L

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 7 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-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-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 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 (3 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 MC5R 3732/4885MC3R 3459/4885ASH1L 2010/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MC5R 3732/4885MC3R 3459/4885ASH1L 2010/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MC5R 3880/4885MC3R 3903/4885ASH1L 1073/4885

“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.