SCHEMBL2866470

SCHEMBL2866470

COc1ccc(Cl)c(N2CCNCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.65
HTR3E A5X5Y0 4/20 0.65
HTR3B O95264 4/20 0.65
HTR3D Q70Z44 4/20 0.65
HTR3C Q8WXA8 4/20 0.65
HTR1A P08908 7/20 0.62
ADRB1 P08588 5/20 0.56
SIGMAR1 Q99720 2/20 0.56
NCF1 P14598 1/20 0.55
HTR1B P28222 2/20 0.54
HTR1D P28221 1/20 0.54
HTR7 P34969 2/20 0.52
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
DRD4 P21917 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR6 P50406 2/20 0.49
HTR2B P41595 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
Hydrochloric Acid SCHEMBL2876565 0.98 HTR3A (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7412675 0.92 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2874319 0.82 HTR3A (0.77) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2349863 0.82 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8105955 0.81 ALDH1A1 (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL2875972 0.81 HTR3A (0.74) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL7708526 0.81 HTR3A (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3712047 0.79 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30747759 0.79 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL233151 0.79 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C

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 38 patents — showing the first 20. 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-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-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
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
CN-1867336-B 1-aryl-4-substituted piperazines derivatives and pharmaceutical use thereof CHEMOCENTRYX INC 2010-05-12 CN 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
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 US disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 WO disclosed
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 EP disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 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 (5 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-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 HTR3A 447/4885HTR3E 715/4885HTR3B 797/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 HTR3A 330/4885HTR3E 508/4885HTR3B 571/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 HTR3A 330/4885HTR3E 508/4885HTR3B 571/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 HTR3A 447/4885HTR3E 715/4885HTR3B 797/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 HTR3A 330/4885HTR3E 508/4885HTR3B 571/4885

“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.