SCHEMBL7279796

SCHEMBL7279796

COC1CN[C@H](C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.52
CYP1A2 P05177 2/20 0.52
ALOX15 P16050 2/20 0.52
CYP2C19 P33261 2/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
ARG1 P05089 1/20 0.44
CTSC P53634 1/20 0.43
LMNA P02545 2/20 0.41
BLM P54132 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL689400 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL5636193 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL1270327 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL7361978 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL7338717 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL7338708 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL1269918 1.00 CYP2D6 (0.52) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL1302881 0.98 CYP2D6 (0.50) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL1268656 0.98 CYP2D6 (0.50) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL20446559 0.98 CYP2D6 (0.50) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4703038-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1987-10-27 US claimed
US-4684660-A Mercaptoacyldepeptides E. R. SQUIBB & SONS, INC. (US) 1987-08-04 US claimed
EP-0180785-A1 Pharmaceutical preparation containing a combination of Nitrendipin and Enalapril and process for its preparation BAYER AG (DE) 1986-05-14 EP claimed
US-4482725-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR E. R. SQUIBB & SONS, INC. (US) 1984-11-13 US claimed
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 US claimed
US-4325943-A HYPOTENSIVE AGENTS, DIURETICS E. R. SQUIBB & SONS, INC. (US) 1982-04-20 US claimed
US-4284624-A HYPOTENSIVE PEPTIDES E. R. SQUIBB & SONS, INC. (US) 1981-08-18 US claimed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 EP claimed
CN-119020332-A Botulinum neurotoxin which cleaves non-neuronal SNARE 益普生生物制药有限公司 2024-11-26 CN disclosed
US-12084462-B2 Spiro bicyclic inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2024-09-10 US disclosed
CN-111406066-B Botulinum neurotoxin which cleaves non-neuronal SNARE 益普生生物制药有限公司 2024-08-20 CN disclosed
CN-117979988-A Modified BoNT/a for treating diseases affecting eyelid muscles in a subject 益普生生物制药有限公司 2024-05-03 CN disclosed
US-20240082344-A1 METHOD OF TREATING PRADER-WILLI SYNDROME FERRING B.V. (NL) 2024-03-14 US disclosed
EP-3666258-B1 METHOD OF TREATING PRADER-WILLI SYNDROME FERRING BV (NL) 2023-11-15 EP disclosed
US-4316906-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed
US-4284624-A HYPOTENSIVE PEPTIDES E. R. SQUIBB & SONS, INC. (US) 1981-08-18 US disclosed
US-4221912-A Dithio derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1980-09-09 US disclosed
US-4217458-A Acylmercaptoacyl derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1980-08-12 US disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 EP disclosed
US-4198515-A Mercaptoacyl derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1980-04-15 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 (2 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-12084462-B2 Spiro bicyclic inhibitors of menin-MLL interaction BMI1, MLLT1, MEN1 CYP2D6 3831/4885CYP1A2 4138/4885ALOX15 3500/4885
US-20240082344-A1 METHOD OF TREATING PRADER-WILLI SYNDROME OXTR, MC2R, AVPR2 CYP2D6 3478/4885CYP1A2 4362/4885ALOX15 1660/4885

“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.