SCHEMBL1768809

SCHEMBL1768809

NC(Cc1cnccn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
SLC7A5 Q01650 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP3A4 P08684 2/20 0.47
PKM P14618 2/20 0.43
ALPI P09923 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC1A3 P43003 1/20 0.42
KDM4E B2RXH2 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
LMNA P02545 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
TSHR P16473 1/20 0.40
MC4R P32245 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
SCHEMBL1768807 1.00 CYP1A2 (0.50) CYP1A2SLC7A5HSD17B10CYP3A4PKM
Hydrochloric Acid SCHEMBL19694639 0.98 CYP1A2 (0.49) CYP1A2SLC7A5HSD17B10CYP3A4PKM
Hydrochloric Acid SCHEMBL20502456 0.98 CYP1A2 (0.49) CYP1A2SLC7A5HSD17B10CYP3A4PKM
SCHEMBL14338236 0.84 ADORA3 (0.39) CYP1A2SLC7A5HSD17B10CYP3A4KDM4E
SCHEMBL21946221 0.80 NLRP3 (0.41) CYP1A2KDM4EADORA3TSHRMC4R
SCHEMBL20703036 0.80 PTPRA (0.59) CYP1A2KDM4ENAPRTHCAR2LMNA
Hydrochloric Acid SCHEMBL28362858 0.79 NLRP3 (0.40) CYP1A2KDM4EADORA3TSHRMC4R
SCHEMBL19699077 0.79 NLRP3 (0.47) CYP1A2KDM4EADORA3TSHRMC4R
Hydrochloric Acid SCHEMBL28362857 0.79 NLRP3 (0.40) CYP1A2KDM4EADORA3TSHRMC4R
SCHEMBL8351773 0.77 HSP90AA1 (0.38) CYP1A2CYP3A4KDM4ENAPRTHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220232831-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2022-07-28 US claimed
CN-113939499-A Novel non-coding heterocyclic amino acids (NCHAA) and their use as herbicides 福提费斯特有限公司 2022-01-14 CN claimed
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 US disclosed
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 EP disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 WO disclosed
US-11753446-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2023-09-12 US disclosed
US-11629171-B2 Beta-hairpin peptidomimetics SPEXIS AG (CH) 2023-04-18 US disclosed
CN-115093463-A Beta-hairpin peptidomimetics 波利弗尔股份公司 2022-09-23 CN disclosed
US-20220232831-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2022-07-28 US disclosed
EP-3983382-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES Fortephest Ltd. (IL) 2022-04-20 EP disclosed
CN-113939499-A Novel non-coding heterocyclic amino acids (NCHAA) and their use as herbicides 福提费斯特有限公司 2022-01-14 CN disclosed
EP-0822827-A4 ANTAGONISTS OF LHRH UNIV TEXAS (US) 2001-07-11 EP disclosed
US-6011152-A REACTING STOICHIOMETRIC AMOUNTS OR MORE OF AN AMINO CARBOXYLIC ACID OR A PROTECTED/ACTIVATED FOR THEREOF WITH AN ACTIVATED DERVATIVE SELECTED FROM THE GROUP CONSISTING OF OXALATES AND MALONATES IN THE PRESENCE OF A SOLVENT AND HEAT CARNEGIE MELLON UNIVERSITY (US) 2000-01-04 US disclosed
EP-0822827-A1 ANTAGONISTS OF LHRH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-02-11 EP disclosed
WO-1996033729-A1 ANTAGONISTS OF LHRH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-10-31 WO disclosed
US-5541159-A PEPTIDE HORMONE ANTAGONIST SANDOZ LTD. (CH) 1996-07-30 US disclosed
EP-0377665-B1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE UNIV TEXAS (US) 1995-07-12 EP disclosed
EP-0377665-A1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE. UNIV TEXAS (US) 1990-07-18 EP disclosed
WO-1989009786-A1 PEPTIDE DERIVATIVES SANDOZ AG (CH) 1989-10-19 WO disclosed
WO-1989001944-A1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1989-03-09 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 (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-11629171-B2 Beta-hairpin peptidomimetics POLL, POLQ, HBZ CYP1A2 4776/4885SLC7A5 1303/4885HSD17B10 3894/4885
US-20220232831-A1 NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES SLC43A1, NPPA, NAAA CYP1A2 3433/4885SLC7A5 61/4885HSD17B10 2268/4885
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS CYP1A2 4664/4885SLC7A5 308/4885HSD17B10 4549/4885
US-11753446-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S CYP1A2 3983/4885SLC7A5 3020/4885HSD17B10 3294/4885

“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.