SCHEMBL17320982

SCHEMBL17320982

COC(=O)c1cnn2ccc(C)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 4/20 0.56
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 4/20 0.47
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 2/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP46A1 Q9Y6A2 1/20 0.41
TP53 P04637 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
TGFBR1 P36897 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
NR4A2 P43354 2/20 0.39

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
SCHEMBL3073456 0.85 ALDH1A1 (0.52) EPHB3KDM4EHSD17B10TSHRGLA
SCHEMBL3612196 0.85 CA12 (0.46) EPHB3KDM4ETSHRMAPTALOX15
SCHEMBL19786566 0.85 EPHB3 (0.44) EPHB3KDM4EHSD17B10TSHRGLA
SCHEMBL25336177 0.84 EPHB3 (0.44) EPHB3KDM4EHSD17B10TSHRMAPT
SCHEMBL3612887 0.84 EPHB3 (0.61) EPHB3KDM4ETSHRMAPTALOX15
SCHEMBL13139955 0.83 EPHB3 (0.56) EPHB3KDM4EMAPTLMNAHTT
SCHEMBL3073610 0.83 EPHB3 (0.56) EPHB3KDM4EHSD17B10LMNAHTT
SCHEMBL12689690 0.82 SMN1; SMN2 (0.47) EPHB3KDM4EHSD17B10TSHRMAPT
SCHEMBL2176212 0.82 NPC1 (0.49) EPHB3KDM4ETSHRMAPTALOX15
SCHEMBL19657530 0.82 EPHB3 (0.63) EPHB3KDM4EMAPTLMNAHTT

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
EP-3492461-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2019-06-05 EP disclosed
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 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-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 EPHB3 2013/4885KDM4E 1692/4885HSD17B10 2782/4885

“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.