SCHEMBL4855006

SCHEMBL4855006

CC(C)(C)OC(=O)N(CCCCCC(=O)c1c[nH]c2ccccc12)CCc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
POLB P06746 2/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45

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
SCHEMBL4858828 0.99 MEN1 (0.45) MEN1MAPTKMT2AGABRA1GABRB2
SCHEMBL4851395 0.88 CTNNB1 (0.53) MEN1MAPTKMT2AHAT1EP300
SCHEMBL4862452 0.88 POLB (0.47) KMT2AGABRA1GABRB2POLBCTNNB1
SCHEMBL4863061 0.87 CTNNB1 (0.54) MEN1MAPTKMT2AGABRA1GABRB2
SCHEMBL5982135 0.87 POLB (0.47) KMT2AGABRA1GABRB2POLBCTNNB1
SCHEMBL4852361 0.87 HAT1 (0.51) MEN1MAPTKMT2AGABRA1GABRB2
SCHEMBL4852037 0.86 HAT1 (0.52) MEN1MAPTKMT2AGABRA1GABRB2
SCHEMBL5989175 0.77 HPGD (0.44) MEN1MAPTKMT2APOLBCTNNB1
SCHEMBL4850312 0.77 CTNNB1 (0.57) MEN1MAPTKMT2AHAT1EP300
SCHEMBL13987507 0.76 HAT1 (0.57) MEN1MAPTKMT2AGABRA1GABRB2

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 MEN1 2484/4885MAPT 1965/4885KMT2A 2316/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MEN1 2484/4885MAPT 1965/4885KMT2A 2316/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MEN1 3753/4885MAPT 1584/4885KMT2A 1894/4885

“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.