SCHEMBL4591772

SCHEMBL4591772

NCCCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.73
TAAR1 Q96RJ0 2/20 0.64
AKT2 P31751 1/20 0.53
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
MCHR1 Q99705 1/20 0.45
MAOA P21397 1/20 0.45
AOC3 Q16853 1/20 0.44
HTR2A P28223 1/20 0.43

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
SCHEMBL632043 0.93 TAAR1 (0.73) MAOBTAAR1AKT2HTR3EHTR3B
Hydrochloric Acid SCHEMBL3236109 0.91 TAAR1 (0.70) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL15245000 0.89 AKT2 (0.62) MAOBTAAR1AKT2MAOAHTR2A
SCHEMBL1570115 0.86 TAAR1 (0.70) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL8301429 0.84 TAAR1 (0.67) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL11340620 0.84 TAAR1 (0.67) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL11339628 0.84 TAAR1 (0.67) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL11335508 0.84 TAAR1 (0.67) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL11337555 0.84 TAAR1 (0.67) MAOBTAAR1HTR3EHTR3BHTR3A
SCHEMBL11337432 0.84 TAAR1 (0.67) MAOBTAAR1HTR3EHTR3BHTR3A

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
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MAOB 137/4885TAAR1 96/4885AKT2 4380/4885

“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.