SCHEMBL12620740

SCHEMBL12620740

CCc1cc2c(cc1-c1csc(C3CCNCC3)n1)C(C)(C)CCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BAZ2A Q9UIF9 3/20 0.47
▸ HPGDS O60760 1/20 0.41
▸ PLAT P00750 5/20 0.35
▸ AOC3 Q16853 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GNRHR P30968 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ RXRA P19793 1/20 0.32

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
SCHEMBL12620707 0.86 HPGDS (0.42) BAZ2AHPGDSPLATSMN1; SMN2L3MBTL1
SCHEMBL1549933 0.80 HPGDS (0.51) BAZ2AHPGDSPLATSMN1; SMN2L3MBTL1
Bromide SCHEMBL1801727 0.79 HPGDS (0.50) BAZ2AHPGDSPLATSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL1802873 0.79 HPGDS (0.50) BAZ2AHPGDSPLATSMN1; SMN2L3MBTL1
SCHEMBL12620747 0.76 RARG (0.44) BAZ2AHPGDSPLATSMN1; SMN2L3MBTL1
SCHEMBL12620694 0.74 HPGDS (0.47) BAZ2AHPGDSPLATSMN1; SMN2L3MBTL1
SCHEMBL12620715 0.74 HPGDS (0.52) BAZ2AHPGDSPLATAOC3SMN1; SMN2
SCHEMBL2221943 0.74 HPGDS (0.44) BAZ2AHPGDSSMN1; SMN2L3MBTL1LMNA
SCHEMBL12620697 0.73 HPGDS (0.46) BAZ2AHPGDSPLATSMN1; SMN2L3MBTL1
SCHEMBL20676398 0.72 HPGDS (0.42) BAZ2AHPGDSAOC3SMN1; SMN2L3MBTL1

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 4 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-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 BAZ2A 1741/4885HPGDS 1318/4885PLAT 2027/4885

“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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