SCHEMBL3548256

SCHEMBL3548256

NC1CCN(Cc2ccccc2)CC1c1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.63
DPP4 P27487 1/20 0.55
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.46
MDM2 Q00987 1/20 0.46
DRD2 P14416 1/20 0.46
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
BACE1 P56817 3/20 0.44
HTR2A P28223 1/20 0.43

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
SCHEMBL3545238 0.89 CCR5 (0.54) CCR5DPP4ALDH1A1KDM4EGLA
SCHEMBL3553193 0.89 CCR5 (0.54) CCR5DPP4ALDH1A1KDM4EGLA
SCHEMBL3553189 0.89 CCR5 (0.54) CCR5DPP4ALDH1A1KDM4EGLA
SCHEMBL1937441 0.88 DPP4 (0.70) CCR5DPP4ALDH1A1KDM4EGLA
SCHEMBL3557153 0.88 CCR5 (0.57) CCR5DPP4ALDH1A1SIGMAR1MEN1
SCHEMBL3551204 0.88 CCR5 (0.57) CCR5DPP4ALDH1A1SIGMAR1MEN1
SCHEMBL3559501 0.88 CCR5 (0.57) CCR5DPP4ALDH1A1SIGMAR1MEN1
SCHEMBL3557156 0.88 CCR5 (0.57) CCR5DPP4ALDH1A1SIGMAR1MEN1
SCHEMBL3559498 0.88 CCR5 (0.57) CCR5DPP4ALDH1A1SIGMAR1MEN1
SCHEMBL3546941 0.86 CCR5 (0.64) CCR5DPP4DRD2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES BOEHRINGER MARKUS 2010-04-08 US disclosed
US-7683079-B2 4-aminopiperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-23 US disclosed
CN-101090888-A 4-aminopiperidine derivatives HOFFMANN LA ROCHE (CH) 2007-12-19 CN disclosed
US-20060135561-A1 4-Aminopiperidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-06-22 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-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES DPP4, GPR119, IAPP CCR5 2106/4885DPP4 1/4885ALDH1A1 199/4885
US-20060135561-A1 4-Aminopiperidine derivatives DPP4, GPR119, IAPP CCR5 2106/4885DPP4 1/4885ALDH1A1 199/4885

“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.