SCHEMBL9900037

SCHEMBL9900037

COc1cc(Cl)nc(N2CCC(NC(=O)O)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.57
HSD17B10 Q99714 4/20 0.57
ALDH1A1 P00352 4/20 0.57
TSHR P16473 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.44
KDM4E B2RXH2 4/20 0.43
USP2 O75604 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL9942511 0.86 ALDH1A1 (0.51) HPGDHSD17B10ALDH1A1TSHR
SCHEMBL9900933 0.84 HPGD (0.54) HPGDHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL9900445 0.81 HPGD (0.46) HPGDHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL29998765 0.79 LMNA (0.51) HPGDSMN1; SMN2LMNAUSP2MAPT
SCHEMBL15446531 0.78 TSHR (0.64) HPGDHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL9900439 0.76 HSD17B10 (0.41) HPGDHSD17B10ALDH1A1TSHRSMN1; SMN2
SCHEMBL3282217 0.76 ALDH1A1 (0.46) HPGDHSD17B10ALDH1A1TSHR
SCHEMBL3281537 0.74 ALDH1A1 (0.48) HPGDHSD17B10ALDH1A1TSHR
SCHEMBL17395967 0.73 SMN1; SMN2 (0.40) HSD17B10ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL17395968 0.73 SMN1; SMN2 (0.40) HSD17B10ALDH1A1TSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO 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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 HPGD 2221/4885HSD17B10 2341/4885ALDH1A1 502/4885

“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.