SCHEMBL18787948

SCHEMBL18787948

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
PDE4B Q07343 2/20 0.35
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 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
SCHEMBL23669168 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL5993395 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL12944961 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL23669881 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL15866093 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL14031173 0.89 HPGD (0.42) NR1H2USP2SMN1; SMN2MEN1ALDH1A1
SCHEMBL22035920 0.88 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL21388760 0.88 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL18814078 0.88 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTMEN1
SCHEMBL22331591 0.84 NR1H2 (0.43) NR1H2USP2SMN1; SMN2NAMPTMEN1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250145632-A1 Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine INSILICO MEDICINE IP LIMITED (HK) 2025-05-08 US disclosed
EP-4455132-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE Insilico Medicine IP Limited (HK) 2024-10-30 EP disclosed
US-12091425-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-09-17 US disclosed
CN-118647607-A Pyrimidine heterocyclic compounds, process for preparing the same and pharmaceutical use thereof 英矽智能科技(上海)有限公司 2024-09-13 CN disclosed
EP-4011887-B1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY CALITHERA BIOSCIENCES INC (US) 2024-07-31 EP disclosed
WO-2023116761-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 英矽智能科技知识产权有限公司 2023-06-29 WO disclosed
WO-2023116761-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 英矽智能科技知识产权有限公司 2023-06-29 WO disclosed
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 US disclosed
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2023-02-16 US disclosed
US-11370754-B2 Method of preparing (3R,4S)-3-acetamido-4-allyl-n-(tert-butyl)pyrrolidine-3-carboxamide CALITHERA BIOSCIENCES, INC. (US) 2022-06-28 US disclosed
US-20180362459-A1 METHOD OF PREPARING (3R,4S)-3-ACETAMIDO-4-ALLYL-N-(TERT-BUTYL)PYRROLIDINE-3-CARBOXAMIDE PRECISION PHARMACEUTICALS, INC. 2018-12-20 US disclosed
US-20180346489-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY PRECISION PHARMACEUTICALS, INC. 2018-12-06 US disclosed
WO-2018209290-A1 METHOD OF PREPARING (3R,4S)-3-ACETAMIDO-4-ALLYL-N-(TERT-BUTYL)PYRROLIDINE-3-CARBOXAMIDE CALITHERA BIOSCIENCES, INC. (US) 2018-11-15 WO disclosed
EP-3368541-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY Calithera Biosciences, Inc. (US) 2018-09-05 EP disclosed
US-10065974-B2 Compositions and methods for inhibiting arginase activity PRECISION PHARMACEUTICALS, INC. 2018-09-04 US disclosed
US-20170121352-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY PRECISION PHARMACEUTICALS, INC. 2017-05-04 US disclosed
US-20170121352-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY PRECISION PHARMACEUTICALS, INC. 2017-05-04 US disclosed
US-20170121352-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY PRECISION PHARMACEUTICALS, INC. 2017-05-04 US disclosed
WO-2017075363-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY CALITHERA BIOSCIENCES, INC. (US) 2017-05-04 WO disclosed
WO-2017075363-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY CALITHERA BIOSCIENCES, INC. (US) 2017-05-04 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 (8 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-20180362459-A1 METHOD OF PREPARING (3R,4S)-3-ACETAMIDO-4-ALLYL-N-(TERT-BUTYL)PYRROLIDINE-3-CARBOXAMIDE TERT, CTPS1, CTPS2 NR1H2 4072/4885USP2 3667/4885SMN1; SMN2 1991/4885
US-20180346489-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY ARG1, ARG2, PRMT5 NR1H2 390/4885USP2 954/4885SMN1; SMN2 4691/4885
US-20250145632-A1 Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine DPYD, TYMP, NUDT1 NR1H2 2693/4885USP2 4835/4885SMN1; SMN2 1840/4885
US-20170121352-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY ARG1, ARG2, PRMT5 NR1H2 390/4885USP2 954/4885SMN1; SMN2 4691/4885
US-11370754-B2 Method of preparing (3R,4S)-3-acetamido-4-allyl-n-(tert-butyl)pyrrolidine-3-carboxamide TERT, CTPS1, CTPS2 NR1H2 4072/4885USP2 3667/4885SMN1; SMN2 1991/4885
US-10065974-B2 Compositions and methods for inhibiting arginase activity ARG1, ARG2, PRMT5 NR1H2 390/4885USP2 954/4885SMN1; SMN2 4691/4885
US-20230052348-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 NR1H2 2519/4885USP2 1042/4885SMN1; SMN2 1807/4885
US-12091425-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 NR1H2 2519/4885USP2 1042/4885SMN1; SMN2 1807/4885

“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.