SCHEMBL4861735

SCHEMBL4861735

CC(=O)NC[C@H]1CC[C@H](C(=O)Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CACNA1H O95180 1/20 0.41
EPHX1 P07099 3/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
FUCA1 P04066 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL4861746 1.00 TDP1 (0.45) TDP1CACNA1HEPHX1ALOX15NPC1
SCHEMBL13165688 0.85 TDP1 (0.58) TDP1CACNA1HEPHX1ALOX15NPC1
SCHEMBL48633 0.85
SCHEMBL22721999 0.84 TDP1 (0.48) TDP1CACNA1HEPHX1ALOX15MTNR1A
SCHEMBL12513444 0.84 TDP1 (0.48) TDP1CACNA1HEPHX1ALOX15MTNR1A
Hydrochloric Acid SCHEMBL4553435 0.83
SCHEMBL680676 0.82 PLG (0.50) TDP1CACNA1HEPHX1ALDH1A1HPGD
SCHEMBL680677 0.82 PLG (0.50) TDP1CACNA1HEPHX1ALDH1A1HPGD
SCHEMBL24663485 0.81 TDP1 (0.45) TDP1CACNA1HEPHX1ALOX15MTNR1A
SCHEMBL21202115 0.81 TDP1 (0.55) TDP1CACNA1HEPHX1ALOX15MTNR1A

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 10 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
EP-0044541-B1 AMINOCARBOXYLIC ACIDS, AMINO ALCOHOLS, OR THE DERIVATIVES THEREOF, PROCESSES FOR PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION, CONTAINING AT LEAST ONE OF THESE COMPOUNDS TEIJIN LIMITED (JP) 1983-09-21 EP disclosed
US-4402975-A ANTIULCER AGENTS TEIJIN LIMITED (JP) 1983-09-06 US disclosed
EP-0044541-A1 Aminocarboxylic acids, amino alcohols, or the derivatives thereof, processes for production thereof, and pharmaceutical composition, containing at least one of these compounds TEIJIN LIMITED (JP) 1982-01-27 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 TDP1 989/4885CACNA1H 167/4885EPHX1 481/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TDP1 989/4885CACNA1H 167/4885EPHX1 481/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE TDP1 1472/4885CACNA1H 571/4885EPHX1 804/4885

“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.