SCHEMBL3464583

SCHEMBL3464583

O=C(CCl)N1CCNCC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.50
DPP7 Q9UHL4 2/20 0.50
YAP1 P46937 1/20 0.45
TEAD4 Q15561 1/20 0.45
MITF O75030 2/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
USP19 O94966 4/20 0.41
PARP1 P09874 1/20 0.39
RIPK1 Q13546 2/20 0.39

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
SCHEMBL6984335 0.87 DPP4 (0.47) DPP4DPP7YAP1TEAD4
SCHEMBL18284789 0.86 MEN1 (0.52) DPP4DPP7KMT2AHTTUSP19
SCHEMBL7749807 0.83 RIPK1 (0.46) DPP4DPP7USP19RIPK1MAPK1
SCHEMBL20528485 0.83 DPP4 (0.46) DPP4DPP7KMT2AHPGDSMN1; SMN2
SCHEMBL2935422 0.83 DPP4 (0.46) DPP4DPP7KMT2AHPGDSMN1; SMN2
SCHEMBL21801033 0.83 DPP4 (0.46) DPP4DPP7KMT2AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL9258072 0.82 DPP4 (0.46) DPP4DPP7KMT2AHPGDSMN1; SMN2
SCHEMBL2386164 0.81 DPP4 (0.47) DPP4DPP7USP19RIPK1MAPK1
SCHEMBL1580100 0.81 POLB (0.54) DPP4DPP7KMT2AHTTUSP19
SCHEMBL8496002 0.81 DPP4 (0.45) DPP4DPP7KMT2AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
EP-0077720-A1 Biphenyl alkyl carboxylated derivatives, process for their preparation and their use as medicines PIERRE FABRE S.A. (FR) 1983-04-27 EP 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 (3 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 DPP4 2464/4885DPP7 1494/4885YAP1 3846/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 DPP4 2464/4885DPP7 1494/4885YAP1 3846/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 DPP4 2464/4885DPP7 1494/4885YAP1 3846/4885

“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.