SCHEMBL4592777

SCHEMBL4592777

Cc1ccc(-c2ccc(CCCN)nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MCHR1 Q99705 6/20 0.38
CHRM1 P11229 5/20 0.38
HTR2A P28223 5/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
NOTUM Q6P988 1/20 0.36
SYK P43405 3/20 0.36

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
SCHEMBL4591859 0.83 MCHR1 (0.48) NPC1RAB9AMCHR1CHRM1HTR2A
SCHEMBL4592191 0.83 MCHR1 (0.48) NPC1RAB9ASMN1; SMN2MCHR1CHRM1
SCHEMBL5426112 0.83 CHRM1 (0.41) NPC1RAB9ASMN1; SMN2MCHR1CHRM1
SCHEMBL4592220 0.83 MCHR1 (0.55) LMNANPC1RAB9ASMN1; SMN2MCHR1
SCHEMBL4592094 0.81 MCHR1 (0.46) LMNASMN1; SMN2MCHR1CHRM1HTR2A
SCHEMBL4592496 0.80 HTR2A (0.50) MCHR1CHRM1HTR2AALDH1A1HPGD
SCHEMBL4592464 0.78 MAOB (0.38) NPC1RAB9ASMN1; SMN2MCHR1CHRM1
SCHEMBL24046966 0.77 SMN1; SMN2 (0.56) LMNANPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL10000254 0.75 NPC1 (0.61) LMNANPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5429472 0.71 MCHR1 (0.74) LMNANPC1RAB9ASMN1; SMN2MCHR1

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
CN-101296906-A (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INT (DE) 2008-10-29 CN disclosed
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
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 LMNA 4192/4885NPC1 1939/4885RAB9A 2707/4885

“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.