SCHEMBL24017221

SCHEMBL24017221

NC(N)NC1CCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
CA1 P00915 2/20 0.39
CA2 P00918 1/20 0.39
ANPEP P15144 2/20 0.38
ERAP2 Q6P179 2/20 0.38
KDM4E B2RXH2 2/20 0.37
EPHX1 P07099 6/20 0.36
CYP3A4 P08684 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL19803410 0.97
SCHEMBL11853895 0.78 EPHX1 (0.44) ALDH1A1HSD17B10CA1CA2ANPEP
SCHEMBL4779097 0.78 GAA (0.42) ALDH1A1HSD17B10CA1CA2ANPEP
SCHEMBL23096785 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10CA1CA2ANPEP
Hydrochloric Acid SCHEMBL11553334 0.76 GAA (0.41) ALDH1A1HSD17B10CA1CA2ANPEP
SCHEMBL26717117 0.74
SCHEMBL19966112 0.73 ALDH1A1 (0.47) ALDH1A1HSD17B10CA1KDM4EEPHX1
SCHEMBL18844888 0.73 ALDH1A1 (0.47) ALDH1A1HSD17B10CA1KDM4EEPHX1
Hydrochloric Acid SCHEMBL7566720 0.73 ALDH1A1 (0.47) ALDH1A1HSD17B10CA1CA2KDM4E
SCHEMBL22369902 0.73 ALDH1A1 (0.47) ALDH1A1HSD17B10CA1KDM4EEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210347725-A1 CYCLOHEPTYLAMINE DERIVATIVES AS ANTI-DIABETIC AGENTS UNITED ARAB EMIRATES UNIVERSITY (AE) 2021-11-11 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-20210347725-A1 CYCLOHEPTYLAMINE DERIVATIVES AS ANTI-DIABETIC AGENTS BHMT2, BHMT, GPR119 ALDH1A1 940/4885HSD17B10 3335/4885CA1 3333/4885

“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.