SCHEMBL29256183

SCHEMBL29256183

c1ccc2cc(NC3CC3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GRM5 P41594 1/20 0.48
LMNA P02545 3/20 0.46

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
SCHEMBL28234188 0.91 RAB9A (0.46) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL25039415 0.91 KDM1A (0.52) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL30279159 0.91 KDM1A (0.52) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL11607060 0.90 KDM4E (0.57) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
Cyanide SCHEMBL28871611 0.87 KDM4E (0.48) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL29200505 0.87 HTR6 (0.59) ALDH1A1HSD17B10CYP3A4HPGDCA1
Hydrochloric Acid SCHEMBL7333915 0.86 HTR6 (0.60) CA1CA2CA12CA4CA5A
SCHEMBL14541397 0.82 LMNA (0.44) ALDH1A1HSD17B10CYP3A4HPGDCYP1A2
SCHEMBL9285080 0.81 KDM4E (0.60) ALDH1A1HSD17B10LMNAMAPTKDM4E
SCHEMBL21460268 0.81 HTR6 (0.51) HTR1AHTR2BHTR6DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138950-A1 CRYSTALLINE COMPOUNDS OTSUKA AMERICA PHARMACEUTICAL INC (US) 2026-05-21 US disclosed
CN-118125957-A Cyclopentylamine compound with novel structure and preparation method and application thereof 遵义医科大学 2024-06-04 CN disclosed
US-11299458-B2 Crystalline compounds OTSUKA AMERICA PHARMACEUTICAL, INC. (US) 2022-04-12 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-20260138950-A1 CRYSTALLINE COMPOUNDS HTR5A, TPH1, SLC6A2 ALDH1A1 471/4885HSD17B10 1195/4885CYP3A4 346/4885
US-11299458-B2 Crystalline compounds NT5C, NT5C3B, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 799/4885HSD17B10 721/4885CYP3A4 535/4885

“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.