SCHEMBL5582574

SCHEMBL5582574

CN(C)CC1CCc2cc(OCc3ccc(N)cc3)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
MCHR1 Q99705 11/20 0.51
BACE1 P56817 1/20 0.48
CYP26A1 O43174 1/20 0.47
CYP19A1 P11511 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
CYP2D6 P10635 1/20 0.41
HRH1 P35367 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5582606 0.88 CYP26A1 (0.56) ITGB3ITGA2BMCHR1BACE1CYP26A1
SCHEMBL4623151 0.88 MCHR1 (0.49) ITGB3ITGA2BMCHR1BACE1CYP26A1
Hydrochloric Acid SCHEMBL4622107 0.87 MCHR1 (0.56) ITGB3ITGA2BMCHR1BACE1CYP26A1
Hydrochloric Acid SCHEMBL4623162 0.87 MCHR1 (0.58) ITGB3ITGA2BMCHR1BACE1HRH3
SCHEMBL29453758 0.86 MCHR1 (0.60) ITGB3ITGA2BMCHR1BACE1CYP26A1
SCHEMBL1268345 0.86 MCHR1 (0.66) ITGB3ITGA2BMCHR1BACE1CYP26A1
SCHEMBL14440117 0.86 MCHR1 (0.58) ITGB3ITGA2BMCHR1BACE1CYP26A1
SCHEMBL14440096 0.86 MCHR1 (0.55) ITGB3ITGA2BMCHR1BACE1CYP26A1
SCHEMBL1268277 0.86 MCHR1 (0.60) ITGB3ITGA2BMCHR1BACE1CYP26A1
Hydrochloric Acid SCHEMBL4622184 0.85 MCHR1 (0.65) ITGB3ITGA2BMCHR1BACE1CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO 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 (1 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 ITGB3 4150/4885ITGA2B 4209/4885MCHR1 2/4885

“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.