SCHEMBL6124694

SCHEMBL6124694

Cc1ncn(-c2ccc(C=O)c3c2CC3)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GRM1 Q13255 1/20 0.31
ALOX5AP P20292 1/20 0.31
KCNJ1 P48048 1/20 0.31

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
SCHEMBL6124685 0.82 EED (0.36) MEN1GFERKMT2AHKDC1RXFP1
SCHEMBL6127798 0.80 EED (0.33)
SCHEMBL16279396 0.76 SRC (0.36) MEN1GFERKMT2AHKDC1RXFP1
SCHEMBL1955751 0.75 ALDH1A1 (0.41) MEN1KMT2A
SCHEMBL6124667 0.73 MAOA (0.38) MEN1GFERKMT2AHKDC1RXFP1
SCHEMBL10153124 0.73 ALOX5AP (0.33) MEN1GFERKMT2AHKDC1RXFP1
SCHEMBL1956778 0.73 ERN1 (0.40)
SCHEMBL8045283 0.71 GRM1 (0.32) GRM1
SCHEMBL10153119 0.70 ALDH1A1 (0.49) MEN1KMT2A
SCHEMBL7055082 0.69 TDP1 (0.45) MEN1GFERKMT2AHKDC1RXFP1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 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 (5 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-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MEN1 3513/4885GFER 4229/4885KMT2A 3849/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MEN1 2572/4885GFER 4364/4885KMT2A 3479/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 MEN1 3855/4885GFER 4040/4885KMT2A 3325/4885
US-20100298381-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSENEN MEN1 2918/4885GFER 4433/4885KMT2A 3636/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 MEN1 3833/4885GFER 4019/4885KMT2A 3472/4885

“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.