SCHEMBL15034121

SCHEMBL15034121

CC1(C)CN(C(=O)c2cccc(C(F)(F)F)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 13/20 0.37
CFTR P13569 1/20 0.36
MAPT P10636 3/20 0.36
PKM P14618 1/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL15034033 0.91 MGLL (0.39) IRAK4MAPTSMN1; SMN2
SCHEMBL15034165 0.88 PKM (0.41) CFTRMAPTPKMTP53SMN1; SMN2
SCHEMBL15034145 0.87 MAPT (0.40) CFTRMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL15034159 0.87 CFTR (0.39) CFTRMAPTPKMTP53SMN1; SMN2
SCHEMBL15034128 0.85 CFTR (0.42) IRAK4CFTRMAPTTP53SMN1; SMN2
SCHEMBL15034351 0.85 CFTR (0.37) CFTRMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL15023304 0.85 CFTR (0.39) CFTRMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL15034178 0.84 USP19 (0.40) IRAK4CFTRMAPTTP53SMN1; SMN2
SCHEMBL15034212 0.84 IRAK4 (0.36) IRAK4CFTRPKM
SCHEMBL15034119 0.84 POLB (0.44) SMN1; SMN2ALDH1A1HPGDHSD17B10

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
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US 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-20130158042-A1 NOVEL COMPOUNDS GRM5, GRIK5, GRM1 IRAK4 1427/4885CFTR 3753/4885MAPT 270/4885

“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.