SCHEMBL3244877

SCHEMBL3244877

O=CNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
GLA P06280 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX7 Q99572 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
GAA P10253 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL3250932 0.81 ALDH1A1 (0.52) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL28289553 0.75 ALDH1A1 (0.53) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL31053476 0.75 HTT (0.53) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL23220249 0.73 THRB (0.63) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL1552389 0.73 MEN1 (0.63) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL2841738 0.73 THRB (0.63) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL1674746 0.72 LMNA (0.54) HTTALDH1A1GLAKDM4EMEN1
Hydrochloric Acid SCHEMBL7044171 0.71 HTT (0.50) HTTALDH1A1CRHBPCRHR2MCOLN3
SCHEMBL14503267 0.71 EPHX2 (0.64) HTTALDH1A1CRHBPCRHR2MCOLN3
Hydrochloric Acid SCHEMBL28131943 0.71 THRB (0.61) HTTALDH1A1CRHBPCRHR2MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54122272-A None JP disclosed
US-20200401045-A1 ACTIVE-RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMATION METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2020-12-24 US disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
JP-S54122272-A NOVEL 2-SUBSTITUTED PHENYLIMIDAZOLE DERIVATIVE SUMITOMO CHEM CO LTD 1979-09-21 JP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 HTT 3024/4885ALDH1A1 874/4885CRHBP 4537/4885

“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.