SCHEMBL4592170

SCHEMBL4592170

OC1CCCN(Cc2ccc(I)cc2)C1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
HTT P42858 2/20 0.54
LTA4H P09960 1/20 0.53
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HRH3 Q9Y5N1 1/20 0.47
CYP2D6 P10635 2/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CCR5 P51681 1/20 0.46
PDE2A O00408 1/20 0.46

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
SCHEMBL4592570 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL16121539 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL20160542 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL9980798 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL1427977 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL1955800 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL1427979 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL8251471 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL1787570 0.83 ALDH1A1 (1.00) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL1552926 0.83 ALDH1A1 (1.00) ALDH1A1HTTLTA4HKDM4EPOLB

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 ALDH1A1 3960/4885HTT 582/4885LTA4H 1868/4885

“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.