SCHEMBL2179754

SCHEMBL2179754

CC(C)C(c1ccccc1)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
KDM4D Q6B0I6 9/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNA3 P22001 1/20 0.38
CTSK P43235 3/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL2179751 1.00 CCR5 (0.41) CCR5KDM1AMAOBKDM4DKMT2A
SCHEMBL2179748 1.00 CCR5 (0.41) CCR5KDM1AMAOBKDM4DKMT2A
SCHEMBL2179376 0.89 DRD4 (0.42) CCR5KDM1AMAOBKDM4DKMT2A
SCHEMBL2179381 0.89 DRD4 (0.42) CCR5KDM1AMAOBKDM4DKMT2A
SCHEMBL2179372 0.89 DRD4 (0.42) CCR5KDM1AMAOBKDM4DKMT2A
SCHEMBL2177191 0.89 CTSK (0.40) CCR5KDM1AKMT2ACTSK
SCHEMBL2177193 0.89 CTSK (0.40) CCR5KDM1AKMT2ACTSK
SCHEMBL2177199 0.89 CTSK (0.40) CCR5KDM1AKMT2ACTSK
SCHEMBL2178078 0.87 CHRNB2 (0.41) CTSKDRD2
SCHEMBL2178076 0.87 CHRNB2 (0.41) CTSKDRD2

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
EP-2351738-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO)PIPERIDIN-3-OL Sumitomo Chemical Company, Limited (JP) 2011-08-03 EP disclosed
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-14 US disclosed
US-20110166357-A1 METHOD FOR PRODUCING N-SUBSTITUTED-TRANS-4-AZIDOPIPERIDINE-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 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 (2 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-20110166357-A1 METHOD FOR PRODUCING N-SUBSTITUTED-TRANS-4-AZIDOPIPERIDINE-3-OL RPS27L, OSGEP, RPLP1 CCR5 3760/4885KDM1A 2921/4885MAOB 1058/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 CCR5 3447/4885KDM1A 1392/4885MAOB 694/4885

“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.