SCHEMBL4860283

SCHEMBL4860283

CC1(C)CCc2cc(C(=O)CCCCN(CCc3ccccc3Cl)C(=O)O)cc(S(N)(=O)=O)c2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 8/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA7 P43166 5/20 0.31
CA13 Q8N1Q1 5/20 0.31
CA12 O43570 4/20 0.31
CA3 P07451 4/20 0.31
CA4 P22748 4/20 0.31
CA6 P23280 4/20 0.31
CA5A P35218 4/20 0.31
CA9 Q16790 4/20 0.31
CA14 Q9ULX7 4/20 0.31
CA5B Q9Y2D0 4/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
KCNH2 Q12809 2/20 0.31

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
SCHEMBL13987153 0.92 MAPT (0.31) DAGLAMAPTCA1CA2CA7
SCHEMBL4858191 0.86 PTGS1 (0.36) MAPTALDH1A1CA1CA2CA7
SCHEMBL13987483 0.86 SLC2A1 (0.34) MAPTCA1CA2CA7CA13
SCHEMBL5576939 0.85 PTGS1 (0.36) MAPTALDH1A1CA1CA2CA7
SCHEMBL4859632 0.85 CTNNB1 (0.37) MAPTALDH1A1CA1CA2CA7
SCHEMBL5577163 0.81 CA1 (0.37) ALDH1A1CA1CA2CA7CA13
SCHEMBL4861300 0.80 NPC1 (0.41) MAPTALDH1A1CA1CA2CA7
SCHEMBL4860290 0.80 DAGLA (0.35) DAGLACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4851911 0.80 PTGS1 (0.38) CA1CA2CA7CA13CA12
SCHEMBL14513380 0.79 PTGS1 (0.37) CA1CA2CA7CA13CA12

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 DAGLA 1350/4885MAPT 1965/4885ALDH1A1 118/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 DAGLA 1350/4885MAPT 1965/4885ALDH1A1 118/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE DAGLA 1622/4885MAPT 1584/4885ALDH1A1 212/4885

“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.