SCHEMBL3250932

SCHEMBL3250932

O=C(NC=S)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HTT P42858 4/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
GLA P06280 1/20 0.47
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.45
CNR2 P34972 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42
P2RX7 Q99572 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
SCHEMBL3244877 0.81 HTT (0.48) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL31053476 0.73 HTT (0.53) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL28289553 0.73 ALDH1A1 (0.53) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL11760000 0.71 ALDH1A1 (0.42) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL23220249 0.71 THRB (0.63) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL1552389 0.71 MEN1 (0.63) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL2841738 0.71 THRB (0.63) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL3250927 0.71 ALDH1A1 (0.52) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL1674746 0.71 LMNA (0.54) ALDH1A1HTTGLALMNANPSR1
Hydrochloric Acid SCHEMBL7044171 0.70 HTT (0.50) ALDH1A1HTTCRHBPCRHR2MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 874/4885HTT 3024/4885CRHBP 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.