SCHEMBL12103645

SCHEMBL12103645

Cc1cc(OCC[C@@H](C)C2CCNCC2)cc(C)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.38
▸ MAPK1 P28482 2/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ THRA P10827 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL27810438 1.00 THRB (0.38) THRBMAPK1MCL1THRASLC6A2
Hydrochloric Acid SCHEMBL1295968 0.99 THRB (0.38) THRBMAPK1MCL1THRASLC6A2
Hydrochloric Acid SCHEMBL1295966 0.99 THRB (0.38) THRBMAPK1MCL1THRASLC6A2
SCHEMBL12103606 0.85 MAPK1 (0.41) THRBMAPK1THRASLC6A2SLC6A4
SCHEMBL27810440 0.85 MAPK1 (0.41) THRBMAPK1THRASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1295997 0.84 MAPK1 (0.40) THRBMAPK1THRASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1295995 0.84 MAPK1 (0.40) THRBMAPK1THRASLC6A2SLC6A4
SCHEMBL12106833 0.83 THRB (0.42) THRBMAPK1MCL1THRAALDH1A1
SCHEMBL3228172 0.82 ALDH1A1 (0.42) MAPK1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL4397975 0.79 ITGB3 (0.50) SLC6A4ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269734-A1 PIPERIDINYL GPCR AGONISTS PROSIDION LIMITED (GB) 2011-11-03 — — US disclosed
CN-102083813-A Piperidinyl gpcr agonists PROSIDION LTD 2011-06-01 — — CN 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-20110269734-A1 PIPERIDINYL GPCR AGONISTS GPR119, GPR27, GLP1R THRB 266/4885MAPK1 793/4885MCL1 4486/4885

“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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