SCHEMBL3463899

SCHEMBL3463899

CCOC(=O)c1cc(N2CCNCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.59
ALDH1A1 P00352 6/20 0.59
SIRT6 Q8N6T7 1/20 0.58
RECQL P46063 1/20 0.55
POLB P06746 3/20 0.55
HTR6 P50406 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL21430924 0.91 MAPT (0.55) MAPTALDH1A1SIRT6RECQLPOLB
Hydrochloric Acid SCHEMBL23044907 0.90 MAPT (0.54) MAPTALDH1A1SIRT6RECQLPOLB
SCHEMBL268283 0.88 MAPT (0.61) MAPTALDH1A1SIRT6SMN1; SMN2CYP1A2
SCHEMBL13162443 0.87 SIRT6 (0.76) MAPTALDH1A1SIRT6POLBHTR6
SCHEMBL19677556 0.86 MAPT (0.70) MAPTALDH1A1SIRT6SMN1; SMN2MAPK1
SCHEMBL23316412 0.86 SIRT6 (0.61) MAPTALDH1A1SIRT6SMN1; SMN2MAPK1
SCHEMBL7987904 0.83 SIRT6 (0.69) MAPTALDH1A1SIRT6RECQLPOLB
SCHEMBL5863451 0.83 ADRB1 (0.55) MAPTALDH1A1POLBMAPK1HTT
SCHEMBL1414539 0.81 MAPT (0.64) MAPTALDH1A1SIRT6RECQLPOLB
SCHEMBL23316379 0.81 MAPT (0.59) MAPTALDH1A1SIRT6SMN1; SMN2MAPK1

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 8 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
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 MAPT 4063/4885ALDH1A1 951/4885SIRT6 4264/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 MAPT 4063/4885ALDH1A1 951/4885SIRT6 4264/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 MAPT 4063/4885ALDH1A1 951/4885SIRT6 4264/4885

“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.