SCHEMBL12620707

SCHEMBL12620707

Cc1cc2c(cc1-c1csc(C3CCNCC3)n1)C(C)(C)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.42
▸ BAZ2A Q9UIF9 2/20 0.41
▸ RARG P13631 3/20 0.40
▸ RXRA P19793 5/20 0.37
▸ RXRG P48443 2/20 0.37
▸ RARA P10276 1/20 0.37
▸ PLAT P00750 4/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GNRHR P30968 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RARB P10826 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL12620747 0.87 RARG (0.44) HPGDSBAZ2ARARGPLATMEN1
SCHEMBL12620740 0.86 BAZ2A (0.47) HPGDSBAZ2ARXRAPLATMEN1
SCHEMBL1549933 0.82 HPGDS (0.51) HPGDSBAZ2ARARGRXRARARA
Hydrochloric Acid SCHEMBL1802873 0.81 HPGDS (0.50) HPGDSBAZ2ARARGRXRARARA
Bromide SCHEMBL1801727 0.81 HPGDS (0.50) HPGDSBAZ2ARARGRXRARARA
SCHEMBL12620715 0.76 HPGDS (0.52) HPGDSBAZ2ARARAPLATMEN1
SCHEMBL2221943 0.75 HPGDS (0.44) HPGDSBAZ2ARARGRXRARARA
SCHEMBL12620694 0.74 HPGDS (0.47) HPGDSBAZ2APLATMEN1KMT2A
SCHEMBL18997369 0.73 ALDH1A1 (0.43) HPGDSBAZ2AMEN1KMT2AL3MBTL1
SCHEMBL12517367 0.73 HPGDS (0.47) HPGDSBAZ2APLATMEN1KMT2A

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 1318/4885BAZ2A 1741/4885RARG 1842/4885

“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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