SCHEMBL4862452

SCHEMBL4862452

CC(C)(C)OC(=O)N(CCCCCC(=O)c1c[nH]c2ccccc12)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ADAM17 P78536 1/20 0.46
MC5R P33032 7/20 0.46
MC3R P41968 6/20 0.46
CTNNB1 P35222 3/20 0.46
WNT3A P56704 3/20 0.46
MC4R P32245 4/20 0.45
GABRA1 P14867 3/20 0.45
GABRB2 P47870 3/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NAMPT P43490 1/20 0.43
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL5982135 0.99 POLB (0.47) POLBADAM17MC5RMC3RCTNNB1
SCHEMBL4855006 0.88 MEN1 (0.45) POLBADAM17MC5RMC3RCTNNB1
SCHEMBL4851395 0.87 CTNNB1 (0.53) ADAM17CTNNB1WNT3ANPC1RAB9A
SCHEMBL4858828 0.87 MEN1 (0.45) POLBADAM17CTNNB1WNT3AGABRA1
SCHEMBL4863061 0.86 CTNNB1 (0.54) ADAM17CTNNB1WNT3AGABRA1GABRB2
SCHEMBL4861714 0.86 ADAM17 (0.54) POLBADAM17MC5RMC3RCTNNB1
SCHEMBL4854961 0.85 ADAM17 (0.55) POLBADAM17MC5RMC3RCTNNB1
SCHEMBL26995509 0.78 L3MBTL1 (0.47) POLBNPC1RAB9AKMT2A
SCHEMBL4850312 0.77 CTNNB1 (0.57) ADAM17MC5RMC3RCTNNB1WNT3A
SCHEMBL25046666 0.76 L3MBTL1 (0.45) POLBNPC1RAB9AKMT2A

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 9 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-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
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 POLB 1937/4885ADAM17 407/4885MC5R 3732/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 POLB 1937/4885ADAM17 407/4885MC5R 3732/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE POLB 1453/4885ADAM17 438/4885MC5R 3880/4885

“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.