SCHEMBL15034152

SCHEMBL15034152

CC1(C)CN(C(=O)c2cccc(C(F)F)c2)CCN1C(=O)c1ncn(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
USP2 O75604 6/20 0.39
TSHR P16473 4/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
CFTR P13569 1/20 0.38
TP53 P04637 5/20 0.38
ALDH1A1 P00352 7/20 0.37
CYP3A4 P08684 6/20 0.37
CYP1A2 P05177 3/20 0.37
HIF1A Q16665 2/20 0.37
CYP2D6 P10635 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX12 P18054 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL15020047 0.94 HPGD (0.41) MAPTUSP2TSHRLMNAMAPK1
SCHEMBL15034136 0.91 CFTR (0.40) MAPTUSP2TSHRLMNAMAPK1
SCHEMBL15034131 0.88 CYP3A4 (0.48) USP2TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL15034134 0.88 CFTR (0.44) MAPTTSHRCFTRTP53ALDH1A1
SCHEMBL15034138 0.87 HPGD (0.44) MAPTUSP2TSHRLMNAMAPK1
SCHEMBL15034148 0.87 MEN1 (0.47) MAPTUSP2TSHRLMNAMAPK1
SCHEMBL15020006 0.86 ALDH1A1 (0.44) MAPTTP53ALDH1A1SMN1; SMN2HPGD
SCHEMBL15020249 0.86 HPGD (0.40) TSHRLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL15034119 0.86 POLB (0.44) USP2LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL15034147 0.85 HPGD (0.41) MAPTUSP2TSHRLMNAMAPK1

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 MAPT 270/4885USP2 3127/4885TSHR 886/4885

“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.