SCHEMBL12440480

SCHEMBL12440480

Clc1ccc(-c2ccc(-c3ccc(OCCN4CCCC4)c(Br)c3)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HTR2A P28223 4/20 0.51
CYP2D6 P10635 1/20 0.51
CHRM1 P11229 1/20 0.51
HTR2C P28335 3/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
LTA4H P09960 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL12440267 0.89 MCHR1 (0.67) MCHR1HTR2ACYP2D6CHRM1LTA4H
SCHEMBL12440368 0.87 MCHR1 (0.57) MCHR1HTR2ACYP2D6CHRM1HTR2C
SCHEMBL12440363 0.87 MCHR1 (0.57) MCHR1SMN1; SMN2KDM4EHTR2ACYP2D6
SCHEMBL12441118 0.87 MCHR1 (0.57) MCHR1HTR2ACYP2D6CHRM1LTA4H
SCHEMBL12439925 0.86 SMN1; SMN2 (0.56) MCHR1SMN1; SMN2KDM4EHTR2ACYP2D6
SCHEMBL12441119 0.86 MCHR1 (0.58) MCHR1HTR2ACYP2D6CHRM1HTR2C
SCHEMBL12441626 0.85 MCHR1 (0.53) MCHR1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL12440019 0.85 MCHR1 (0.55) MCHR1HTR2ACYP2D6CHRM1HTR2C
SCHEMBL12440748 0.85 MCHR1 (0.55) MCHR1HTR2ACYP2D6CHRM1LTA4H
SCHEMBL12440496 0.85 MCHR1 (0.55) MCHR1HTR2ACYP2D6CHRM1LTA4H

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-2357173-A1 New alkyne compounds with MCH-antagonistic activity and medicaments containing them Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-08-17 EP disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 MCHR1 1/4885SMN1; SMN2 3224/4885LMNA 3002/4885

“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.