SCHEMBL4592802

SCHEMBL4592802

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

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ATM Q13315 1/20 0.53
TRPA1 O75762 1/20 0.49
CCR5 P51681 1/20 0.48
OPRL1 P41146 1/20 0.45
CHRNA1 P02708 2/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4592086 0.84 CCR5 (0.46) KMT2AMEN1ATMCCR5OPRL1
SCHEMBL3508945 0.81 KMT2A (0.56) KMT2AMEN1ATMCHRNA1CHRNA7
SCHEMBL4591596 0.79 CCR5 (0.59) TRPA1CCR5OPRL1ALDH1A1
SCHEMBL4484154 0.78 OPRL1 (0.61) KMT2AMEN1ATMOPRL1ALDH1A1
SCHEMBL1823298 0.76 KMT2A (0.63) KMT2AMEN1ATMCHRNA1CHRNA7
SCHEMBL5048083 0.76 KMT2A (0.63) KMT2AMEN1ATMCHRNA1CHRNA7
SCHEMBL1976999 0.76 KMT2A (0.61) KMT2AMEN1ATMCHRNA1CHRNA7
SCHEMBL14504828 0.75 MCHR1 (0.53) CCR5OPRL1
SCHEMBL4592427 0.75 HRH3 (0.64) KMT2AMEN1ATMALDH1A1
SCHEMBL5040678 0.75 HRH3 (0.64) KMT2AMEN1ATMALDH1A1

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 KMT2A 474/4885MEN1 2624/4885ATM 3544/4885

“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.