SCHEMBL3629025

SCHEMBL3629025

c1ccc(-n2ccc(N3CCNCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.56
HTR3E A5X5Y0 4/20 0.56
HTR3B O95264 4/20 0.56
HTR3A P46098 4/20 0.56
HTR3D Q70Z44 4/20 0.56
HTR3C Q8WXA8 4/20 0.56
SIGMAR1 Q99720 2/20 0.56
PLD1 Q13393 2/20 0.49
HTR1A P08908 4/20 0.46
HTR7 P34969 4/20 0.46
HTR6 P50406 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HTR2C P28335 3/20 0.45
USP2 O75604 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
SLC6A4 P31645 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL18865595 0.81 HRH4 (0.47) ALDH1A1KDM4ETP53
SCHEMBL31466536 0.80 ADRB1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL28990876 0.75 PLD1 (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29691124 0.75 HTR2C (0.47) ADRB1PLD1HTR2CHSD17B10CYP1A2
Phenylpiperazine SCHEMBL55125 0.73 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL27858598 0.73 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL24889 0.73 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL29135595 0.73 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL18592895 0.73 SIGMAR1 (0.51) ADRB1HTR3EHTR3BHTR3AHTR3D
Phenylpiperazine SCHEMBL15327472 0.72 ADRB1 (0.95) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260441-B2 Heteroaryl compounds with cyclic bridging unit INTERVET INC. (US) 2016-02-16 US disclosed
US-20150080365-A1 HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT INTERVET INC. 2015-03-19 US disclosed
EP-2830615-A1 HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR USE IN THE TREATMENT HELMINTH INFECTION Intervet International B.V. (NL) 2015-02-04 EP disclosed
WO-2013144180-A1 HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR USE IN THE TREATMENT HELMINTH INFECTION INTERVET INTERNATIONAL B.V. (NL) 2013-10-03 WO disclosed
CN-101175729-B 1-phenyl-3-piperazine-pyrazoles and pesticidal compositions of matter thereof MERIAL LTD 2011-06-01 CN disclosed
CN-101175729-B 1-phenyl-3-piperazine-pyrazoles and pesticidal compositions of matter thereof MERIAL LTD 2011-06-01 CN disclosed
US-7678797-B2 1-phenyl-3-piperazine-pyrazoles and pesticidal compositions of matter thereof MERIAL LIMITED (US) 2010-03-16 US disclosed
US-7678797-B2 1-phenyl-3-piperazine-pyrazoles and pesticidal compositions of matter thereof MERIAL LIMITED (US) 2010-03-16 US disclosed
US-20080113998-A1 1-PHENYL-3-PIPERAZINE-PYRAZOLES AND PESTICIDAL COMPOSITIONS OF MATTER THEREOF MERIAL, INC. 2008-05-15 US disclosed
CN-101175729-A 1-phenyl-3-piperazine-pyrazoles and pesticidal compositions of matter thereof MERIAL LTD (US) 2008-05-07 CN disclosed
CN-101175729-A 1-phenyl-3-piperazine-pyrazoles and pesticidal compositions of matter thereof MERIAL LTD (US) 2008-05-07 CN 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 (2 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-20080113998-A1 1-PHENYL-3-PIPERAZINE-PYRAZOLES AND PESTICIDAL COMPOSITIONS OF MATTER THEREOF DDT, CYP4Z1, CYP51A1 ADRB1 1557/4885HTR3E 1764/4885HTR3B 1809/4885
US-20150080365-A1 HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT PIGS, MTCL3, GJB2 ADRB1 3082/4885HTR3E 2715/4885HTR3B 3098/4885

“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.