SCHEMBL2870698

SCHEMBL2870698

CC(C)(C)OC(=O)Nc1cc(N2CCNCC2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.49
HTR6 P50406 7/20 0.48
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
CYP2D6 P10635 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL30595778 0.87 MAPT (0.48) HTR6MAPTSMN1; SMN2HTR1AHTR2A
SCHEMBL23032404 0.87 MAPT (0.48) HTR6MAPTSMN1; SMN2HTR1AHTR2A
SCHEMBL30595807 0.86 MAPT (0.50) MAPTSMN1; SMN2POLBTHRBHTT
SCHEMBL23032760 0.86 MAPT (0.50) MAPTSMN1; SMN2POLBTHRBHTT
SCHEMBL458534 0.85 MAPT (0.58) MAPTSMN1; SMN2CYP2C19HTTALDH1A1
SCHEMBL27913478 0.85 MAPT (0.52) MAPTSMN1; SMN2POLBTP53HTT
SCHEMBL6503210 0.80 MAPT (0.50) ADRB1MAPTSMN1; SMN2HTR3EHTR3B
SCHEMBL2088134 0.76 MAPT (0.48) MAPTSMN1; SMN2HTTPDK1PDK2
SCHEMBL6991512 0.76 CHEK1 (0.49) ADRB1HTR6MAPTSMN1; SMN2HTR3E
SCHEMBL457023 0.76 ATR (0.41) HTR6MAPTSMN1; SMN2HTR3EHTR3B

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 15 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-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 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-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
CN-100542534-C Substituted piperazines CHEMOCENTRYX INC (US) 2009-09-23 CN 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
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 ADRB1 230/4885HTR6 966/4885MAPT 4063/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 ADRB1 230/4885HTR6 966/4885MAPT 4063/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 ADRB1 294/4885HTR6 1298/4885MAPT 3524/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 ADRB1 230/4885HTR6 966/4885MAPT 4063/4885

“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.