SCHEMBL40623

SCHEMBL40623

O=C(O)[C@@H]1CC(F)(F)CN1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
ALOX15 P16050 3/20 0.53
GRM2 Q14416 1/20 0.53
GRM3 Q14832 1/20 0.53
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
LMNA P02545 2/20 0.39
BLM P54132 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
CTSC P53634 1/20 0.34
GRIK1 P39086 1/20 0.32

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
SCHEMBL40622 1.00 CYP1A2 (0.53) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL3145095 1.00 CYP1A2 (0.53) CYP1A2ALOX15GRM2GRM3CYP2D6
Hydrochloric Acid SCHEMBL1269592 0.98 CYP1A2 (0.52) CYP1A2ALOX15GRM2GRM3CYP2D6
Hydrochloric Acid SCHEMBL1269590 0.98 CYP1A2 (0.52) CYP1A2ALOX15GRM2GRM3CYP2D6
Chloromethane SCHEMBL22092026 0.94 CYP1A2 (0.48) CYP1A2ALOX15GRM2GRM3CYP2D6
Trifluoroacetic Acid SCHEMBL17924705 0.90 CYP1A2 (0.46) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL6046221 0.84 CYP1A2 (0.42) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL24576135 0.80 GRM2 (0.34) CYP1A2ALOX15GRM2GRM3CTSC
SCHEMBL8289298 0.80 GRM2 (0.34) CYP1A2ALOX15GRM2GRM3CTSC
SCHEMBL3666260 0.80 GRM2 (0.38) CYP1A2ALOX15GRM2GRM3CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260077073-A1 GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR)-TARGETED COMPOUNDS AND USES THEREOF ALPHA 9 ONCOLOGY INC (CA) 2026-03-19 US claimed
US-20250325672-A1 ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS BICYCLE TX LTD (GB) 2025-10-23 US claimed
CN-119409613-B Synthesis method of (S) - [2- (2-cyano-4, 4-difluoro-pyrrolidin-1-yl) -2-oxo-ethyl ] carbamic acid tert-butyl ester 南京恒远科技开发有限公司 2025-04-11 CN claimed
WO-2025054727-A1 RADIOLABELED COMPOUNDS FOR IN VIVO IMAGING OF GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR) AND TREATMENT OF GRPR-RELATED DISORDERS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2025-03-20 WO claimed
CN-119409613-A Synthesis method of (S) - [2- (2-cyano-4, 4-difluoro-pyrrolidin-1-yl) -2-oxo-ethyl ] carbamic acid tert-butyl ester 南京恒远科技开发有限公司 2025-02-11 CN claimed
CN-119158034-A Bicyclic peptide ligands specific for conjugated protein-4 拜斯科技术开发有限公司 2024-12-20 CN claimed
EP-4464715-A2 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR NECTIN-4 BicycleTx Limited (GB) 2024-11-20 EP claimed
EP-4450079-A1 COMPOSITION FOR TREATING MACULAR DEGENERATION COMPRISING NOVEL PEPTIDE EyebioKorea, Inc. (KR) 2024-10-23 EP claimed
US-11904020-B2 Bicyclic peptide ligands specific for TREM2 BICYCLETX LIMITED (GB) 2024-02-20 US claimed
EP-4308586-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR TREM2 BicycleTX Limited (GB) 2024-01-24 EP claimed
WO-2015191705-A1 NON-CANONICAL INSULINS AND THEIR USES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-12-17 WO claimed
US-20150353619-A1 Non-Canonical Insulins and Their Uses CALIFORNIA INSTITUTE OF TECHNOLOGY 2015-12-10 US claimed
US-8841257-B2 Inhibitors of STAT3 and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 US claimed
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 US claimed
WO-2010118309-A2 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-10-14 WO claimed
EP-1007568-A1 COLLAGEN MIMICS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-06-14 EP claimed
US-5973112-A Collagen mimics WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-10-26 US claimed
WO-1999010381-A1 COLLAGEN MIMICS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-03-04 WO claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-4482725-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR E. R. SQUIBB & SONS, INC. (US) 1984-11-13 US claimed

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-20250325672-A1 ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS ACE2, SARS1, TMPRSS2 CYP1A2 3303/4885ALOX15 4068/4885GRM2 2122/4885
US-11904020-B2 Bicyclic peptide ligands specific for TREM2 APP, TIMCC, ADM2 CYP1A2 2389/4885ALOX15 1868/4885GRM2 511/4885
US-20150353619-A1 Non-Canonical Insulins and Their Uses IAPP, IDE, INSR CYP1A2 2895/4885ALOX15 1847/4885GRM2 3617/4885
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF STAT3, JAK2, STAT6 CYP1A2 4782/4885ALOX15 2409/4885GRM2 4384/4885
US-20260077073-A1 GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR)-TARGETED COMPOUNDS AND USES THEREOF GRPR, GIPR, GLP1R CYP1A2 4724/4885ALOX15 3981/4885GRM2 332/4885

“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.