SCHEMBL1095665

SCHEMBL1095665

CN1CCC(O)(CC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
OPRM1 P35372 3/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C19 P33261 1/20 0.34
CYP1A2 P05177 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP5 P45974 1/20 0.32
BDKRB2 P30411 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
SCHEMBL27685278 0.83 BDKRB2 (0.38) KMT2AOPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL10280046 0.83 L3MBTL1 (0.33) KMT2AOPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL8948627 0.79 OPRM1 (0.41) OPRM1OPRD1OPRK1SMN1; SMN2
Hydrochloric Acid SCHEMBL10567744 0.78 KMT2A (0.58) KMT2AOPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL15232200 0.78 KMT2A (0.42) KMT2AOPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL3019549 0.78
SCHEMBL25447273 0.78 CYP2C19 (0.36) KMT2AOPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL25566055 0.78 KMT2A (0.50) KMT2ACYP1A2TDP1SMN1; SMN2HTR1A
SCHEMBL29889358 0.78 ALDH1A1 (0.39) KMT2AOPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL10232812 0.78 CYP2D6 (0.38) OPRM1OPRD1OPRK1KCNH2CYP2C19

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
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
CN-112513024-A TLR7/8 antagonists and uses thereof 默克专利股份公司 2021-03-16 CN disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
CN-1897946-A 1- 2' (1, 4'-biperidin-1'-yl)-1- (phenyl) -ethyl cyclohexanol derivatives as monoamine reuptake modulators for the treatment of visomotor symptoms WYETH CORP (US) 2007-01-17 CN disclosed
US-4447434-A ANTIULCER, ANTISECRETORY, OR ANTICHOLINERGIC AGENTS DR. KARL THOMAE GMBH (DE) 1984-05-08 US disclosed
US-4424225-A ANTIULCER AGENTS DR. KARL THOMAE GMBH (DE) 1984-01-03 US disclosed
US-4424226-A ANTIULCER AGENTS DR. KARL THOMAE GMBH (DE) 1984-01-03 US disclosed
EP-0085892-A1 Substituted benzodiazepinones, process for their preparation and medicines containing them Dr. Karl Thomae GmbH (DE) 1983-08-17 EP disclosed
EP-0085899-A2 Pyridobenzodiazepinones, process for their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1983-08-17 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 (3 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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 KMT2A 1574/4885OPRM1 4106/4885SLC22A1 2762/4885
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KMT2A 1065/4885OPRM1 539/4885SLC22A1 2633/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR KMT2A 2825/4885OPRM1 4577/4885SLC22A1 3428/4885

“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.