SCHEMBL4485326

SCHEMBL4485326

CC(C)C1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.61
POLB P06746 2/20 0.59
CYP3A4 P08684 1/20 0.56
HSD17B10 Q99714 1/20 0.56
OPRM1 P35372 2/20 0.55
OPRD1 P41143 1/20 0.55
OPRK1 P41145 1/20 0.55
CCR3 P51677 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
CYP2D6 P10635 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MC4R P32245 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.49

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
SCHEMBL4782995 0.90 OPRL1 (0.54) OPRL1POLBCYP3A4HSD17B10OPRM1
SCHEMBL13864819 0.84 OPRL1 (0.55) OPRL1POLBCYP3A4HSD17B10OPRM1
SCHEMBL11370652 0.84 CYP2D6 (0.60) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL15447121 0.84 SIGMAR1 (0.61) OPRL1POLBCYP3A4HSD17B10OPRM1
SCHEMBL23744794 0.83 OPRL1 (0.61) OPRL1POLBCYP3A4HSD17B10OPRM1
SCHEMBL14349369 0.81 CYP3A4 (0.57) OPRL1POLBCYP3A4HSD17B10OPRM1
SCHEMBL1681535 0.81 CYP2D6 (0.56) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL653329 0.81 OPRL1 (0.67) OPRL1POLBCYP3A4HSD17B10OPRM1
SCHEMBL28548988 0.80 OPRL1 (0.71) OPRL1POLBCYP3A4HSD17B10OPRM1
SCHEMBL2953304 0.80 CYP2D6 (0.55) OPRL1POLBCYP3A4HSD17B10CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US 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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 OPRL1 15/4885POLB 4765/4885CYP3A4 3608/4885

“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.