SCHEMBL24089737

SCHEMBL24089737

C/C=C/C(=O)N1CCC(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ ALDH1A1 P00352 6/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ MAOB P27338 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GABRA1 P14867 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ PHGDH O43175 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CA12 O43570 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
SCHEMBL25365606 1.00 HPGD (0.50) HPGDGAALMNAALDH1A1NPC1
SCHEMBL25365817 0.93 HPGD (0.46) HPGDGAALMNAALDH1A1NPC1
SCHEMBL23997789 0.88 ALDH1A1 (0.47) HPGDGAALMNAALDH1A1NPC1
SCHEMBL25237838 0.82 MAPT (0.41) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL8269513 0.80 LMNA (0.47) GAALMNAALDH1A1NPC1RAB9A
SCHEMBL30622342 0.79 NPC1 (0.39) HPGDGAALMNAALDH1A1NPC1
SCHEMBL8430099 0.79 LMNA (0.40) GAALMNAALDH1A1NPC1MEN1
SCHEMBL25366699 0.79 LMNA (0.40) GAALMNAALDH1A1NPC1MEN1
SCHEMBL8259253 0.78 ALDH1A1 (0.50) HPGDGAALMNAALDH1A1NPC1
SCHEMBL8251162 0.78 LMNA (0.38) HPGDGAALMNAALDH1A1NPC1

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-20210379052-A1 QUINOLINE DERIVATIVE HAVING INDOLEAMINE-2,3-DIOXYGENASE INHIBITORY ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2021-12-09 — — 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-20210379052-A1 QUINOLINE DERIVATIVE HAVING INDOLEAMINE-2,3-DIOXYGENASE INHIBITORY ACTIVITY IDO1, IDO2, INMT HPGD 427/4885GAA 180/4885LMNA 3358/4885

“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.

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