SCHEMBL2874403

SCHEMBL2874403

COc1cc(N2CCNCC2)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
HTR6 P50406 5/20 0.49
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RECQL P46063 1/20 0.45
ADRB1 P08588 1/20 0.44
DRD2 P14416 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD3 P35462 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL22858600 0.90 HTR3E (0.50) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL29578121 0.90 HTR3E (0.50) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL6811114 0.88 ALDH1A1 (0.62) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL6815998 0.86 ALDH1A1 (0.64) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL9581594 0.84 MAPT (0.61) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL25297017 0.84 HTR3E (0.53) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL22471191 0.84 MAPT (0.52) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL6816455 0.84 MAPT (0.59) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL2203183 0.80 MAPT (0.50) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL521131 0.80 MAPT (0.67) MAPTLMNAGAAALDH1A1SMN1; 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 11 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-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 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
CN-1913898-A Substituted piperazines CHEMOCENTRYX INC (US) 2007-02-14 CN 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
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 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 (4 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 4063/4885LMNA 4351/4885GAA 3861/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 MAPT 4063/4885LMNA 4351/4885GAA 3861/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 MAPT 3524/4885LMNA 4218/4885GAA 3809/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 MAPT 4063/4885LMNA 4351/4885GAA 3861/4885

“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.