SCHEMBL12620697

SCHEMBL12620697

CC1(C)CCCc2cc(-c3csc(C4CCNCC4)n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.38
GAA P10253 2/20 0.38
BAZ2A Q9UIF9 1/20 0.36
KDM1A O60341 1/20 0.35
MMP12 P39900 1/20 0.35
LMNA P02545 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL2224498 0.94 HPGDS (0.40) HPGDSALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL12620694 0.94 HPGDS (0.47) HPGDSALDH1A1SMN1; SMN2MAPTMEN1
Bromide SCHEMBL12806009 0.93 HPGDS (0.39) HPGDSALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL13576195 0.90 ALDH1A1 (0.42) HPGDSALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL12620686 0.90 HPGDS (0.47) HPGDSALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1549933 0.87 HPGDS (0.51) HPGDSALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL1802873 0.85 HPGDS (0.50) HPGDSALDH1A1SMN1; SMN2MEN1KMT2A
Bromide SCHEMBL1801727 0.85 HPGDS (0.50) HPGDSALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2226284 0.84 ALDH1A1 (0.57) HPGDSALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL12620715 0.83 HPGDS (0.52) HPGDSALDH1A1SMN1; SMN2MEN1KMT2A

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-8436186-B2 Thiazolyl piperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 US disclosed
US-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-05-05 US disclosed
US-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-05-05 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-20110105505-A1 THIAZOLYL PIPERIDINE DERIVATIVES SPHK1, S1PR1, SPHK2 HPGDS 1318/4885ALDH1A1 1661/4885SMN1; SMN2 2628/4885

“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.