SCHEMBL12620747

SCHEMBL12620747

Cc1cc2c(cc1-c1csc(C3CCNCC3)n1)C(C)(C)CC(C)C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RARG P13631 2/20 0.44
▸ HPGDS O60760 1/20 0.38
▸ BAZ2A Q9UIF9 2/20 0.38
▸ PLAT P00750 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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 0.87 HPGDS (0.42) RARGHPGDSBAZ2APLATL3MBTL1
SCHEMBL12620740 0.76 BAZ2A (0.47) HPGDSBAZ2APLATL3MBTL1ALDH1A1
SCHEMBL12620715 0.71 HPGDS (0.52) HPGDSBAZ2APLATL3MBTL1ALDH1A1
SCHEMBL1549933 0.70 HPGDS (0.51) RARGHPGDSBAZ2APLATL3MBTL1
Bromide SCHEMBL1801727 0.69 HPGDS (0.50) RARGHPGDSBAZ2APLATL3MBTL1
Hydrochloric Acid SCHEMBL1802873 0.69 HPGDS (0.50) RARGHPGDSBAZ2APLATL3MBTL1
SCHEMBL18997369 0.69 ALDH1A1 (0.43) HPGDSBAZ2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13422226 0.66 HPGDS (0.52) HPGDSBAZ2APLATL3MBTL1ALDH1A1
SCHEMBL12620735 0.66 BAZ2A (0.45) HPGDSBAZ2APLATMEN1KMT2A
SCHEMBL12517367 0.66 HPGDS (0.47) HPGDSBAZ2APLATL3MBTL1ALDH1A1

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 RARG 1842/4885HPGDS 1318/4885BAZ2A 1741/4885

“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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