SCHEMBL3465474

SCHEMBL3465474

COc1cc(N2C[C@@H](C)NC[C@H]2C)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 4/20 0.42
ADAMTS4 O75173 1/20 0.39
CCR1 P32246 4/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
RXRA P19793 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
GHSR Q92847 1/20 0.36
NOTUM Q6P988 1/20 0.36
PIM1 P11309 1/20 0.35
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
HTR2B P41595 4/20 0.35
WEE1 P30291 1/20 0.35

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
SCHEMBL3465481 1.00 ADAMTS5 (0.42) ADAMTS5ADAMTS4CCR1CHRNB2CHRNA4
SCHEMBL3465038 1.00 ADAMTS5 (0.42) ADAMTS5ADAMTS4CCR1CHRNB2CHRNA4
SCHEMBL3465040 1.00 ADAMTS5 (0.42) ADAMTS5ADAMTS4CCR1CHRNB2CHRNA4
SCHEMBL3465043 1.00 ADAMTS5 (0.42) ADAMTS5ADAMTS4CCR1CHRNB2CHRNA4
SCHEMBL5178255 0.84 BCL2A1 (0.45) ADAMTS5ADAMTS4WEE1
SCHEMBL4935348 0.84 BCL2A1 (0.45) ADAMTS5ADAMTS4WEE1
SCHEMBL4938713 0.84 BCL2A1 (0.45) ADAMTS5ADAMTS4WEE1
SCHEMBL14180547 0.84 ALDH1A1 (0.39) ADAMTS5CHRNB2CHRNA4PIM1WEE1
SCHEMBL14180565 0.83 APP (0.37) CHRNB2CHRNA4GHSRPIM1WEE1
SCHEMBL3560286 0.81 AR (0.42) HTR2A

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 14 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-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
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-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 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-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP 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
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO 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 ADAMTS5 3403/4885ADAMTS4 4160/4885CCR1 1/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 ADAMTS5 3403/4885ADAMTS4 4160/4885CCR1 1/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 ADAMTS5 3403/4885ADAMTS4 4160/4885CCR1 1/4885

“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.