SCHEMBL4850490

SCHEMBL4850490

CN(CCCCC(=O)c1ccc2c(c1)CNCC2)CCc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.41
ACHE P22303 3/20 0.41
CYP3A4 P08684 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC2A1 P11166 1/20 0.38
PNMT P11086 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MBTPS1 Q14703 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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 SCHEMBL4862289 0.99 MCHR1 (0.40) MCHR1ACHECYP3A4NPC1HTT
SCHEMBL4858321 0.94 MCHR1 (0.46) MCHR1ACHECYP3A4NPC1HTT
Hydrochloric Acid SCHEMBL4891471 0.93 MCHR1 (0.46) MCHR1ACHECYP3A4NPC1HTT
SCHEMBL13987530 0.82 MCHR1 (0.60) MCHR1HTR2CHTR2B
Hydrochloric Acid SCHEMBL4859576 0.81 MCHR1 (0.59) MCHR1HTR2CHTR2B
SCHEMBL4859791 0.81 MCHR1 (0.45) MCHR1ACHEHTR2CMBTPS1
SCHEMBL4855338 0.80 MCHR1 (0.54) MCHR1HTR2B
SCHEMBL13987531 0.80 MCHR1 (0.51) MCHR1ACHENPC1HTTRAB9A
SCHEMBL13987534 0.80 MCHR1 (0.53) MCHR1ACHE
Hydrochloric Acid SCHEMBL4861381 0.80 ACHE (0.45) MCHR1ACHEHTR2CMBTPS1

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 1502/4885ACHE 1/4885CYP3A4 1732/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MCHR1 1502/4885ACHE 1/4885CYP3A4 1732/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MCHR1 2885/4885ACHE 1/4885CYP3A4 1676/4885

“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.