SCHEMBL4855552

SCHEMBL4855552

CNS(=O)(=O)c1cc(C(=O)CCCCN(CCc2ccccc2Cl)C(=O)OC(C)(C)C)cc2c1OCC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NRP1 O14786 7/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
ACKR3 P25106 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
PKLR P30613 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL4850330 0.92 PTGS1 (0.35) PTGS1PTGS2NRP1ACKR3
SCHEMBL4851911 0.91 PTGS1 (0.38) PTGS1PTGS2NRP1ACKR3
SCHEMBL4888444 0.91 PTGS1 (0.37) PTGS1PTGS2NRP1MAPTALDH1A1
SCHEMBL4851987 0.90 PTGS1 (0.36) PTGS1PTGS2MAPK1MEN1KMT2A
SCHEMBL4860107 0.90 PTGS1 (0.37) PTGS1PTGS2ALDH1A1ACKR3LMNA
SCHEMBL14513380 0.90 PTGS1 (0.37) PTGS1PTGS2NRP1ACKR3
SCHEMBL14513381 0.88 PTGS1 (0.35) PTGS1PTGS2NRP1ACKR3
SCHEMBL5981600 0.88 PTGS1 (0.38) PTGS1PTGS2NRP1MAPTALDH1A1
Hydrochloric Acid SCHEMBL4852562 0.87 PTGS1 (0.38) PTGS1PTGS2NRP1MAPTALDH1A1
SCHEMBL4853308 0.86 PTGS1 (0.33) PTGS1PTGS2

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 PTGS1 211/4885PTGS2 610/4885NRP1 1630/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PTGS1 211/4885PTGS2 610/4885NRP1 1630/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PTGS1 417/4885PTGS2 474/4885NRP1 1895/4885

“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.