SCHEMBL4861385

SCHEMBL4861385

CN(CCCCC(=O)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2)CCc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.48
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ACHE P22303 1/20 0.38
ACKR3 P25106 1/20 0.37

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 SCHEMBL4859314 0.99 MCHR1 (0.47) MCHR1ESR1ESR2ACHEACKR3
SCHEMBL13987530 0.89 MCHR1 (0.60) MCHR1
Hydrochloric Acid SCHEMBL4859576 0.88 MCHR1 (0.59) MCHR1
SCHEMBL4850731 0.88 SIGMAR1 (0.42) MCHR1ESR1ESR2ACHE
SCHEMBL4855338 0.86 MCHR1 (0.54) MCHR1
SCHEMBL13987534 0.85 MCHR1 (0.53) MCHR1ACHE
Hydrochloric Acid SCHEMBL4860606 0.85 MCHR1 (0.53) MCHR1
Hydrochloric Acid SCHEMBL4858727 0.84 MCHR1 (0.53) MCHR1ACHE
SCHEMBL13987531 0.84 MCHR1 (0.51) MCHR1ESR1ESR2ACHE
Hydrochloric Acid SCHEMBL4862441 0.83 MCHR1 (0.51) MCHR1ESR1ESR2ACHE

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 1502/4885ESR1 2300/4885ESR2 1201/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MCHR1 1502/4885ESR1 2300/4885ESR2 1201/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MCHR1 2885/4885ESR1 2575/4885ESR2 1365/4885

“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.