SCHEMBL4103157

SCHEMBL4103157

CN1C(=O)CCC12CCCCC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
PRMT1 Q99873 1/20 0.33
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7288250 0.98 ALDH1A1 (0.40) ALDH1A1BRD4BRD2PRMT1
SCHEMBL16189948 0.88
SCHEMBL7357702 0.84 ALDH1A1 (0.40) ALDH1A1BRD4BRD2PRMT1
SCHEMBL16189947 0.84 BRD4 (0.41) ALDH1A1BRD4BRD2
Ethylene SCHEMBL7382155 0.80 ALDH1A1 (0.38) ALDH1A1PRMT1
SCHEMBL22036847 0.80 CHRM2 (0.38) ALDH1A1BRD4BRD2PRMT1
SCHEMBL2436684 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL10186809 0.77 BRD4 (0.40) ALDH1A1BRD4BRD2PRMT1
Hydrochloric Acid SCHEMBL31283258 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL24203805 0.75 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
US-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-05-14 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 (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-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors ACHE, BACE1, BCHE ALDH1A1 1593/4885BRD4 663/4885BRD2 634/4885

“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.