SCHEMBL4481641

SCHEMBL4481641

C[C@]1(O)CCN(Cc2ccccc2)C[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.54
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
FUCA1 P04066 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
CCR3 P51677 1/20 0.49
CYP3A4 P08684 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SIGMAR1 Q99720 3/20 0.48
CYP2D6 P10635 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48

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
SCHEMBL5155047 1.00 OPRL1 (0.54) OPRL1ALDH1A1POLBFUCA1TSHR
SCHEMBL16659923 1.00 OPRL1 (0.54) OPRL1ALDH1A1POLBFUCA1TSHR
SCHEMBL14702321 0.88 ALDH1A1 (0.53) OPRL1ALDH1A1POLBFUCA1TSHR
SCHEMBL19147351 0.85 ALDH1A1 (0.50) OPRL1ALDH1A1POLBFUCA1TSHR
SCHEMBL4591704 0.85 ALDH1A1 (0.44) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL5154919 0.84 OPRL1 (0.50) OPRL1ALDH1A1POLBFUCA1TSHR
SCHEMBL1556248 0.84 ALDH1A1 (0.52) OPRL1ALDH1A1POLBFUCA1TSHR
SCHEMBL1555667 0.84 ALDH1A1 (0.52) OPRL1ALDH1A1POLBFUCA1TSHR
SCHEMBL1587898 0.84 ALDH1A1 (0.52) OPRL1ALDH1A1POLBFUCA1TSHR
SCHEMBL15555793 0.83 OPRL1 (0.53) OPRL1ALDH1A1POLBTSHRMEN1

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 10 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-1742939-A2 NOVEL ALKYNE COMPOUNDS EXHIBITING AN MCH ANTAGONISTIC EFFECT AND DRUGS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-17 EP disclosed
EP-1740572-A1 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-10 EP 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
US-20050267120-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US 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
WO-2005103031-A1 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 US disclosed
WO-2005100285-A2 NOVEL ALKYNE COMPOUNDS EXHIBITING AN MCH ANTAGONISTIC EFFECT AND DRUGS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 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 (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-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, GPR119 OPRL1 39/4885ALDH1A1 1855/4885POLB 4358/4885
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 OPRL1 15/4885ALDH1A1 3567/4885POLB 4765/4885
US-20050267120-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 OPRL1 25/4885ALDH1A1 3033/4885POLB 4588/4885

“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.