SCHEMBL9028836

SCHEMBL9028836

CC1CCC(NCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
RAB9A P51151 1/20 0.62
ACHE P22303 4/20 0.57
BACE1 P56817 4/20 0.57
BCHE P06276 3/20 0.57
LTA4H P09960 1/20 0.56
OPRM1 P35372 2/20 0.55
OPRL1 P41146 2/20 0.55
CARM1 Q86X55 1/20 0.54
PRMT6 Q96LA8 1/20 0.54
VEGFA P15692 1/20 0.52
EGLN1 Q9GZT9 1/20 0.52
THRB P10828 1/20 0.52
FABP6 P51161 1/20 0.50
FUCA1 P04066 1/20 0.50

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
SCHEMBL12680887 1.00 GRIN2B (0.62) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL12680885 1.00 GRIN2B (0.62) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL663239 0.90 GRIN2B (0.74) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL25176271 0.89 TSHR (0.58) GRIN2BMEN1KMT2ARAB9AACHE
Methyl Alcohol SCHEMBL27513196 0.88 GRIN2B (0.67) GRIN2BMEN1KMT2ARAB9AACHE
Hydrochloric Acid SCHEMBL2550113 0.88 MEN1 (0.78) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL25802864 0.85 GRIN2B (0.62) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL3184557 0.84 GRIN2B (0.67) GRIN2BMEN1KMT2ARAB9AACHE
SCHEMBL3440379 0.83 MEN1 (0.51) GRIN2BMEN1KMT2ARAB9AACHE
Bicarbonate SCHEMBL11118446 0.82 GRIN2B (0.65) GRIN2BMEN1KMT2ARAB9AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023061405-A1 HIGHLY-STABLE TARGETED LINKER-DRUG CONJUGATE 成都科岭源医药技术有限公司 2023-04-20 WO disclosed
US-20210053997-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-02-25 US disclosed
EP-1773796-B1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-03-03 EP disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
EP-0535250-B1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO (JP) 1996-06-19 EP disclosed
EP-0705817-A1 New cannamide derivatives and their use as allergy inhibitors TSUMURA & CO. (JP) 1996-04-10 EP disclosed
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed
EP-0535250-A1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO. (JP) 1993-04-07 EP 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 (1 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-20210053997-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 GRIN2B 2983/4885MEN1 3487/4885KMT2A 1187/4885

“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.