SCHEMBL19177266

SCHEMBL19177266

CCC(C)(C)c1cccc2nsnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TXNRD1 Q16881 1/20 0.40
▸ TXNRD3 Q86VQ6 1/20 0.40
▸ TXNRD2 Q9NNW7 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL3439599 0.82 MAPT (0.57) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL13196161 0.81 MEN1 (0.31) MAPTKMT2AMEN1
SCHEMBL20439222 0.80 KDM4E (0.40) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL21895251 0.79 KDM4E (0.48) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL14327672 0.77 — —
SCHEMBL21577671 0.74 MAPT (0.36) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL21846090 0.74 KDM4E (0.43) KDM4EHSD17B10MAPTALDH1A1POLB
SCHEMBL13426475 0.74 — —
SCHEMBL10352856 0.74 MAPT (0.37) KDM4EHSD17B10MAPTALDH1A1POLB
SCHEMBL19040901 0.72 KMT2A (0.41) MAPTALDH1A1POLBKMT2AMEN1

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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 — — 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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 KDM4E 2287/4885HSD17B10 3382/4885MAPT 3797/4885

“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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