SCHEMBL4592086

SCHEMBL4592086

OC1(C(F)(F)F)CCN(Cc2ccc(I)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.46
OPRL1 P41146 7/20 0.40
HRH3 Q9Y5N1 1/20 0.36
OPRM1 P35372 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
MCHR1 Q99705 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
PPARD Q03181 1/20 0.34

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
SCHEMBL4592802 0.84 KMT2A (0.53) CCR5OPRL1MEN1KMT2AATM
SCHEMBL20037845 0.77 MAP3K11 (0.41) HRH3HIF1AEPAS1MEN1KMT2A
SCHEMBL18291538 0.76 RAB9A (0.52) HRH3MEN1KMT2APOLBGAA
SCHEMBL4591596 0.76 CCR5 (0.59) CCR5OPRL1OPRM1POLBGAA
SCHEMBL4484154 0.75 OPRL1 (0.61) OPRL1OPRM1HIF1AMEN1KMT2A
SCHEMBL4591964 0.75 HRH3 (0.59) HRH3POLB
SCHEMBL20038097 0.74 HRH3 (0.46) CCR5HRH3KMT2A
SCHEMBL18291437 0.73 ALDH1A1 (0.50) HRH3MEN1KMT2AATMPOLB
SCHEMBL20037948 0.73 HRH3 (0.43) HRH3MEN1KMT2AATM
SCHEMBL20038290 0.72 KMT2A (0.43) HRH3HIF1AEPAS1MEN1KMT2A

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
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
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

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 CCR5 495/4885OPRL1 18/4885HRH3 89/4885

“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.