SCHEMBL2177191

SCHEMBL2177191

COC(=O)N[C@H]1CCN(C(c2ccccc2)C(C)C)C[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.40
CCR5 P51681 2/20 0.37
ALDH1A1 P00352 4/20 0.37
DRD4 P21917 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR3A P46098 1/20 0.36
KDM1A O60341 1/20 0.35
CHRM3 P20309 1/20 0.35
MCHR1 Q99705 1/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2177199 1.00 CTSK (0.40) CTSKCCR5ALDH1A1DRD4MEN1
SCHEMBL2177193 1.00 CTSK (0.40) CTSKCCR5ALDH1A1DRD4MEN1
SCHEMBL2178078 0.91 CHRNB2 (0.41) CTSKALDH1A1DRD4LMNACHRNB2
SCHEMBL2178076 0.91 CHRNB2 (0.41) CTSKALDH1A1DRD4LMNACHRNB2
SCHEMBL2178082 0.91 CHRNB2 (0.41) CTSKALDH1A1DRD4LMNACHRNB2
SCHEMBL2179748 0.89 CCR5 (0.41) CTSKCCR5KMT2AKDM1A
SCHEMBL2179580 0.89 CTSK (0.42) CTSKALDH1A1MEN1KMT2ATSHR
SCHEMBL2179751 0.89 CCR5 (0.41) CTSKCCR5KMT2AKDM1A
SCHEMBL2179575 0.89 CTSK (0.42) CTSKALDH1A1MEN1KMT2ATSHR
SCHEMBL2179754 0.89 CCR5 (0.41) CTSKCCR5KMT2AKDM1A

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 CTSK 1604/4885CCR5 3760/4885ALDH1A1 264/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 CTSK 3003/4885CCR5 3447/4885ALDH1A1 93/4885

“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.