SCHEMBL2874530

SCHEMBL2874530

Cc1cc(N2CCNCC2)ccc1Br

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.71
HTR3E A5X5Y0 5/20 0.50
HTR3B O95264 5/20 0.50
HTR3A P46098 5/20 0.50
HTR3D Q70Z44 5/20 0.50
HTR3C Q8WXA8 5/20 0.50
SIGMAR1 Q99720 5/20 0.50
HTR7 P34969 4/20 0.50
HTR5A P47898 1/20 0.50
HTR1A P08908 4/20 0.49
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 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
Hydrochloric Acid SCHEMBL2874114 0.98 ADRB1 (0.69) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL221254 0.83 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14419500 0.82 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL798142 0.81 HPGD (0.54) ADRB1TP53THRBHTTKDM4E
SCHEMBL6151312 0.81 ADRB1 (0.69) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6151880 0.81 ADRB1 (0.69) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1022323 0.79 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30609706 0.79 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL20171856 0.79 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14747891 0.79 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D

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 29 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
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-20080261987-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2008-10-23 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20080261987-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 ADRB1 294/4885HTR3E 715/4885HTR3B 797/4885
US-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 ADRB1 294/4885HTR3E 715/4885HTR3B 797/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 ADRB1 230/4885HTR3E 508/4885HTR3B 571/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 ADRB1 230/4885HTR3E 508/4885HTR3B 571/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 ADRB1 294/4885HTR3E 715/4885HTR3B 797/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 ADRB1 230/4885HTR3E 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.