SCHEMBL1724522

SCHEMBL1724522

CC[C@@H]1C[C@H](N)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PARP1 P09874 1/20 0.36
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
CETP P11597 1/20 0.34
SRC P12931 6/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL12213318 1.00 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL12204166 1.00 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL24073652 0.88 NR1H2 (0.38) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL25838521 0.88 NR1H2 (0.38) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL1267959 0.88 ATM (0.40) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL1268619 0.88 ATM (0.40) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL3964124 0.88 ATM (0.40) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL12213289 0.88 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL3725714 0.88 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL2526553 0.88 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3CYP1A2

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-9932344-B2 Pyrazolo[1,5-A]pyrimidine-5,7-diamine compounds as CDK inhibitors and their therapeutic use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-03 US disclosed
US-20160362410-A1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE IP2IPO INNOVATIONS LIMITED (GB) 2016-12-15 US disclosed
US-8759365-B2 Organic compounds NOVARTIS AG (CH) 2014-06-24 US disclosed
US-8759365-B2 Organic compounds NOVARTIS AG (CH) 2014-06-24 US disclosed
US-8759365-B2 Organic compounds NOVARTIS AG (CH) 2014-06-24 US disclosed
EP-2404901-A1 1,2-Disubstituted 4-benzylamino-pyrrolidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis Novartis AG (CH) 2012-01-11 EP disclosed
EP-2404901-A1 1,2-Disubstituted 4-benzylamino-pyrrolidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis Novartis AG (CH) 2012-01-11 EP disclosed
EP-2229356-B1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2011-10-12 EP disclosed
US-20100311750-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311750-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311750-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
EP-2229356-A1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS Novartis AG (CH) 2010-09-22 EP disclosed
WO-2009071509-A1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2009-06-11 WO disclosed
WO-2009071509-A1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2009-06-11 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 (2 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-20160362410-A1 PYRAZOLO[1,5-A]PYRIMIDINE-5,7-DIAMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE CDK10, CDK1, CDK20 NR1H2 2257/4885CHRM2 3908/4885CHRM1 3321/4885
US-20100311750-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 NR1H2 7/4885CHRM2 2162/4885CHRM1 1338/4885

“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.