SCHEMBL4855338

SCHEMBL4855338

CC(=O)N1CCc2ccc(C(=O)CCCCN(C)CCc3ccccc3Cl)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.54
NOTUM Q6P988 1/20 0.42
PRMT5 O14744 1/20 0.41
RORC P51449 1/20 0.41
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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 SCHEMBL4860606 0.99 MCHR1 (0.53) MCHR1NOTUMPRMT5RORCHTR1A
SCHEMBL13987530 0.94 MCHR1 (0.60) MCHR1RORCHTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4859576 0.94 MCHR1 (0.59) MCHR1RORCHTR1ADRD2HTR7
SCHEMBL6034134 0.89 MCHR1 (0.48) MCHR1
Hydrochloric Acid SCHEMBL4861180 0.88 MCHR1 (0.47) MCHR1HTR1ADRD2HTR7HRH1
SCHEMBL4861385 0.86 MCHR1 (0.48) MCHR1
SCHEMBL13987544 0.86 MCHR1 (0.46) MCHR1RORCHTR1ADRD2HTR7
SCHEMBL13987549 0.85 MCHR1 (0.54) MCHR1NOTUMPRMT5
SCHEMBL13987534 0.85 MCHR1 (0.53) MCHR1HRH1
Hydrochloric Acid SCHEMBL4860569 0.85 MCHR1 (0.46) MCHR1RORCHTR1ADRD2HTR7

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 MCHR1 1502/4885NOTUM 1125/4885PRMT5 772/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MCHR1 1502/4885NOTUM 1125/4885PRMT5 772/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MCHR1 2885/4885NOTUM 217/4885PRMT5 745/4885

“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.