SCHEMBL985369

SCHEMBL985369

CC(O)C(=O)N1CCC(N)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
DPP4 P27487 9/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
ROCK2 O75116 1/20 0.37
CYP3A4 P08684 1/20 0.37
DPP7 Q9UHL4 3/20 0.37
CACNA1B Q00975 2/20 0.36
EPHX2 P34913 2/20 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
SCHEMBL985368 1.00 MEN1 (0.46) MEN1ALDH1A1KMT2AGNAI3GNAO1
Hydrochloric Acid SCHEMBL985143 0.98 GNAI3 (0.45) MEN1ALDH1A1KMT2AGNAI3GNAO1
Hydrochloric Acid SCHEMBL985144 0.98 GNAI3 (0.45) MEN1ALDH1A1KMT2AGNAI3GNAO1
SCHEMBL2249769 0.88 DPP4 (0.45) MEN1ALDH1A1KMT2AGNAI3GNAO1
SCHEMBL2249766 0.88 DPP4 (0.45) MEN1ALDH1A1KMT2AGNAI3GNAO1
SCHEMBL20385048 0.88 DPP4 (0.45) MEN1ALDH1A1KMT2AGNAI3GNAO1
SCHEMBL3397414 0.88 DPP4 (0.45) MEN1ALDH1A1KMT2AGNAI3GNAO1
SCHEMBL3424335 0.88 DPP4 (0.45) MEN1ALDH1A1KMT2AGNAI3GNAO1
SCHEMBL3059596 0.85 MEN1 (0.47) MEN1ALDH1A1KMT2AGNAI3GNAO1
SCHEMBL10280581 0.84 MEN1 (0.43) MEN1ALDH1A1KMT2AGNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 WO disclosed
EP-1628619-A2 4-AMINOPYRIMIDINE-5-ONE F.HOFFMANN-LA ROCHE AG (CH) 2006-03-01 EP disclosed
WO-2004069139-A2 4-AMINOPYRIMIDIN-5-YL-METHANONE DERIVATIVES FOR INHIBITION OF CDK4 ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2004-08-19 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A MEN1 2783/4885ALDH1A1 924/4885KMT2A 2975/4885

“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.