SCHEMBL5229352

SCHEMBL5229352

C/C(=C\c1ccc(C#Cc2ncc(-c3ccc(Cl)cc3)cc2F)cc1)CN1CCC(C)(O)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.51
CHRM1 P11229 4/20 0.51
HTR2A P28223 4/20 0.51
GRIN2B Q13224 1/20 0.34
DRD2 P14416 3/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 1/20 0.34
MTOR P42345 2/20 0.34
PIK3CA P42336 1/20 0.33
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL6366720 1.00 MCHR1 (0.51) MCHR1CHRM1HTR2AGRIN2BDRD2
SCHEMBL6371654 0.87 MCHR1 (0.67) MCHR1CHRM1HTR2AALDH1A1TDP1
SCHEMBL5229597 0.87 MCHR1 (0.67) MCHR1CHRM1HTR2AALDH1A1TDP1
SCHEMBL6373531 0.85 MCHR1 (0.51) MCHR1CHRM1HTR2ADRD2CYP2D6
SCHEMBL5225884 0.85 MCHR1 (0.51) MCHR1CHRM1HTR2ADRD2CYP2D6
SCHEMBL5225293 0.85 MCHR1 (0.52) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6365772 0.85 MCHR1 (0.52) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6365637 0.83 MCHR1 (0.51) MCHR1CHRM1HTR2AGRIN2BDRD2
SCHEMBL6365635 0.83 MCHR1 (0.51) MCHR1CHRM1HTR2AGRIN2BDRD2
SCHEMBL5228509 0.83 MCHR1 (0.51) MCHR1CHRM1HTR2AGRIN2BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737824-A2 NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-03 EP disclosed
US-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US disclosed
WO-2005103032-A2 NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 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-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MCHR1 1/4885CHRM1 49/4885HTR2A 157/4885

“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.