SCHEMBL2146179

SCHEMBL2146179

C[C@@]1(C(=O)O)C[C@@H](O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
POLB P06746 1/20 0.43
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2502213 1.00 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9APOLB
SCHEMBL18340933 1.00 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9APOLB
SCHEMBL1336851 0.86 HTR2C (0.45) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2493522 0.86 HTR2C (0.45) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL17237781 0.86 HTR2C (0.45) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2356930 0.83 HTR2C (0.41) HTR2CSMN1; SMN2NPC1RAB9APOLB
SCHEMBL2356933 0.83 HTR2C (0.41) HTR2CSMN1; SMN2NPC1RAB9APOLB
SCHEMBL2317030 0.83 HTR2C (0.41) HTR2CSMN1; SMN2NPC1RAB9APOLB
SCHEMBL10698128 0.81 HTR2C (0.43) HTR2CSMN1; SMN2NPC1RAB9APOLB
SCHEMBL3005759 0.81 CTSL (0.39) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed
US-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 US disclosed
US-9585881-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2017-03-07 US disclosed
US-9469609-B2 Synthesis of pyrrolidine compounds ZEALAND PHARMA A/S (DK) 2016-10-18 US disclosed
US-20160287582-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2016-10-06 US disclosed
US-20150322007-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS ZEALAND PHARMA A/S (DK) 2015-11-12 US disclosed
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed
US-7279584-B2 Method for production of cis-4-fluoro-L-proline derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-10-09 US disclosed
US-20060281927-A1 Process for production of cis-4-fluoro-l-proline derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-14 US disclosed
CN-1633446-A Novel peptides as inhibitors of hepatitis C virus NS 3-serine protease SCHERING CORP (US) 2005-06-29 CN 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-20160287582-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 HTR2C 4365/4885SMN1; SMN2 4340/4885NPC1 2246/4885
US-20150322007-A1 SYNTHESIS OF PYRROLIDINE COMPOUNDS CPS1, DHPS, DDC HTR2C 662/4885SMN1; SMN2 2087/4885NPC1 3626/4885
US-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX HTR2C 4810/4885SMN1; SMN2 1991/4885NPC1 1020/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX HTR2C 4801/4885SMN1; SMN2 2007/4885NPC1 1059/4885
US-20060281927-A1 Process for production of cis-4-fluoro-l-proline derivatives PRAP1, P4HA1, SLC6A7 HTR2C 2526/4885SMN1; SMN2 3700/4885NPC1 1173/4885

“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.