SCHEMBL4853641

SCHEMBL4853641

COc1ccccc1CCN(C)CCCCC(=O)c1cc2c3c(c1)[nH]c(=O)n3CCC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
ACHE P22303 7/20 0.39
BCHE P06276 4/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR3A P46098 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
Hydrochloric Acid SCHEMBL4861292 0.99 SIGMAR1 (0.43) SIGMAR1ACHEBCHECHRM2CHRM1
SCHEMBL6034981 0.88 DRD2 (0.37) ACHEHTR3ADRD2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL4853255 0.87 DRD2 (0.36) ACHEHTR3ADRD2DRD3ALDH1A1
SCHEMBL4860557 0.84 SIGMAR1 (0.45) SIGMAR1ACHEBCHECHRM2CHRM1
Hydrochloric Acid SCHEMBL4859369 0.84 SIGMAR1 (0.44) SIGMAR1ACHEBCHECHRM2CHRM1
SCHEMBL13987309 0.81 NPC1 (0.49) SIGMAR1ACHEBCHECHRM2CHRM1
SCHEMBL13987315 0.80 NPC1 (0.48) SIGMAR1ACHEBCHECHRM2CHRM1
SCHEMBL13987328 0.80 ACHE (0.47) SIGMAR1ACHE
Hydrochloric Acid SCHEMBL4912555 0.80 ACHE (0.47) SIGMAR1ACHE
SCHEMBL13987341 0.80 ACHE (0.47) SIGMAR1ACHE

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US claimed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US claimed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP claimed
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 SIGMAR1 2780/4885ACHE 1/4885BCHE 23/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 SIGMAR1 2780/4885ACHE 1/4885BCHE 23/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE SIGMAR1 4414/4885ACHE 1/4885BCHE 4/4885

“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.