SCHEMBL2737071

SCHEMBL2737071

Cc1cc(C(C)C)c(N2C=CN(c3c(C(C)C)cc(C)cc3C(C)C)C2)c(C(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 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
SCHEMBL13580007 0.91 TSHR (0.35) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL19905522 0.85 FAAH (0.38)
SCHEMBL4214037 0.83 GABRA1 (0.45)
SCHEMBL4578438 0.82 GABRA1 (0.47)
Hydrochloric Acid SCHEMBL942566 0.80 GABRA1 (0.45)
SCHEMBL22708713 0.77 TYR (0.39) LMNACHRM1ADRA1A
SCHEMBL126196 0.77 GABRA1 (0.43) LMNASLC6A2HTR2B
SCHEMBL29021832 0.76 GABRA1 (0.39) LMNASLC6A2HTR2B
SCHEMBL17120959 0.75 LMNA (0.32) LMNATRPA1CHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL360317 0.75 GABRA1 (0.41) LMNASLC6A2HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658963-A Diastereoisomers of vitamin C derivatives, preparation and application thereof 上海克琴科技有限公司 2024-03-08 CN disclosed
US-20170170420-A1 ORGANIC ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2017-06-15 US disclosed
US-9215876-B2 1,3,6-dioxazocan-2-ones and antimicrobial cationic polycarbonates therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-12-22 US disclosed
US-20150264932-A1 1,3,6-DIOXAZOCAN-2-ONES AND ANTIMICROBIAL CATIONIC POLYCARBONATES THEREFROM AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-24 US disclosed
US-20120004430-A1 PRODUCTION OF HYDROXYMETHYLFURFURAL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-01-05 US disclosed
US-20120004430-A1 PRODUCTION OF HYDROXYMETHYLFURFURAL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-01-05 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-20150264932-A1 1,3,6-DIOXAZOCAN-2-ONES AND ANTIMICROBIAL CATIONIC POLYCARBONATES THEREFROM WEE1, WEE2, THEM6 LMNA 3453/4885TRPA1 2475/4885CHRM1 2326/4885
US-20120004430-A1 PRODUCTION OF HYDROXYMETHYLFURFURAL FBP1, G6PD, UGDH LMNA 4800/4885TRPA1 4740/4885CHRM1 3890/4885

“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.