SCHEMBL15025899

SCHEMBL15025899

COc1ccnc(N2CCN(C(=O)Cn3cc(-c4ccc(F)cc4)nc3-c3ccc(F)cc3)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.78
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL15025898 0.97 GRM5 (0.84) GRM5
SCHEMBL15025665 0.93 GRM5 (0.89) GRM5
SCHEMBL15025903 0.88 GRM5 (1.00) GRM5
SCHEMBL15025850 0.86 GRM5 (0.61) GRM5
SCHEMBL15025852 0.85 GRM5 (0.79) GRM5
SCHEMBL15025785 0.83 GRM5 (0.83) GRM5
SCHEMBL15025782 0.83 GRM5 (0.67) GRM5
SCHEMBL15106721 0.82 GRM5 (0.57) GRM5MAPTALDH1A1MAPK1RAB9A
SCHEMBL15025802 0.81 GRM5 (0.82) GRM5
SCHEMBL15025672 0.81 GRM5 (0.82) GRM5

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-8846948-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 US disclosed
US-8846948-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 US disclosed
US-20130150355-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-20130150355-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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-20130150355-A1 NOVEL COMPOUNDS GRM5, GRIN2A, GRIN1 GRM5 1/4885MAPT 280/4885ALDH1A1 2926/4885

“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.