SCHEMBL1722772

SCHEMBL1722772

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
NR1H2 P55055 1/20 0.42
RIPK1 Q13546 1/20 0.37
CETP P11597 1/20 0.35
PARP1 P09874 1/20 0.35
HSD11B1 P28845 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33

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
SCHEMBL20371652 1.00 CYP1A2 (0.45) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL16080242 1.00 CYP1A2 (0.45) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL2683392 0.87 NR1H2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL12235723 0.87 NR1H2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL12824048 0.87 NR1H2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL5155598 0.87 NR1H2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL15909556 0.87 NR1H2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL11099691 0.87 NR1H2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL584549 0.87 NR1H2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL1368985 0.87 NR1H2 (0.49) CYP1A2POLBCYP3A4CYP2C19CHRM2

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-20230270868-A1 PYRROLOBENZODIAZEPINE DIMER PRODRUG AND LIGAND-LINKER CONJUGATE COMPOUND OF THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-08-31 US disclosed
US-11654197-B2 Pyrrolobenzodiazepine dimer prodrug and ligand-linker conjugate compound of the same LEGOCHEM BIOSCIENCES, INC. (KR) 2023-05-23 US disclosed
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
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
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
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
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 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 (4 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 CYP1A2 1959/4885POLB 175/4885CYP3A4 2173/4885
US-11654197-B2 Pyrrolobenzodiazepine dimer prodrug and ligand-linker conjugate compound of the same GABRP, GABRD, GABBR2 CYP1A2 192/4885POLB 2471/4885CYP3A4 104/4885
US-20230270868-A1 PYRROLOBENZODIAZEPINE DIMER PRODRUG AND LIGAND-LINKER CONJUGATE COMPOUND OF THE SAME BCR, PIN1, PAICS CYP1A2 513/4885POLB 1740/4885CYP3A4 149/4885
US-20100311750-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 CYP1A2 300/4885POLB 1082/4885CYP3A4 182/4885

“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.