SCHEMBL2179503

SCHEMBL2179503

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.42
KCNA3 P22001 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
CTSK P43235 3/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
KDM4D Q6B0I6 3/20 0.39
RET P07949 4/20 0.38
DRD2 P14416 2/20 0.38
MCHR1 Q99705 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL2179495 1.00 CCR5 (0.42) CCR5KCNA3KMT2AL3MBTL1KDM1A
SCHEMBL2179498 1.00 CCR5 (0.42) CCR5KCNA3KMT2AL3MBTL1KDM1A
SCHEMBL2178565 0.89 MCHR1 (0.40) CCR5KMT2ACTSKMCHR1
SCHEMBL2178560 0.89 MCHR1 (0.40) CCR5KMT2ACTSKMCHR1
SCHEMBL2178563 0.89 MCHR1 (0.40) CCR5KMT2ACTSKMCHR1
SCHEMBL2180562 0.87 KDM4E (0.42) KMT2ACTSKMCHR1
SCHEMBL2180567 0.87 KDM4E (0.42) KMT2ACTSKMCHR1
SCHEMBL2180563 0.87 KDM4E (0.42) KMT2ACTSKMCHR1
SCHEMBL2180550 0.86 CHRNB2 (0.40) CTSKRETDRD2MCHR1
SCHEMBL2180546 0.86 CHRNB2 (0.40) CTSKRETDRD2MCHR1

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 3760/4885KCNA3 693/4885KMT2A 4049/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 CCR5 3447/4885KCNA3 501/4885KMT2A 1854/4885

“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.