SCHEMBL232689

SCHEMBL232689

Clc1ccc(N2CCNCC2)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 1.00
HTR3E A5X5Y0 4/20 0.62
HTR3B O95264 4/20 0.62
HTR3A P46098 4/20 0.62
HTR3D Q70Z44 4/20 0.62
HTR3C Q8WXA8 4/20 0.62
SIGMAR1 Q99720 4/20 0.62
HTT P42858 3/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
HTR1A P08908 1/20 0.59
CYP2D6 P10635 1/20 0.59
THRB P10828 1/20 0.59
CYP2C9 P11712 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59

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 SCHEMBL2959681 0.98 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
Piperazine SCHEMBL28293494 0.98 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2984679 0.85 ADRB1 (0.73) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11473295 0.83 ADRB1 (0.69) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11297420 0.83 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30609706 0.83 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL232655 0.83 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30609657 0.83 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2738997 0.83 ADRB1 (0.71) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1186845 0.83 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 970 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111879767-B Color development test method of piperazine novel mental active substance 福建警察学院 2022-05-03 CN claimed
CN-111795963-B Method for chromogenic detection of piperazine novel psychotropic active substances 福建警察学院 2022-05-03 CN claimed
CN-111879767-A Color development test method of piperazine novel mental active substance 福建警察学院 2020-11-03 CN claimed
CN-111795963-A Method for chromogenic detection of piperazine novel psychotropic active substances 福建警察学院 2020-10-20 CN claimed
CN-105777731-B The bridged piperazine derivatives and its preparation method and application of Han You oxadiazoles 山东理工大学 2018-10-16 CN claimed
CN-108558986-A Enoxolone analog derivative containing piperazine structure and preparation method thereof and purposes 亿利耐雀生物科技有限公司 2018-09-21 CN claimed
CN-104230915-B Phenylpiperazine derivatives containing thiazolidinedione and preparation method thereof and purposes 南京大学 2016-08-17 CN claimed
CN-105777731-A Oxadiazole-containing piperazine derivative as well as preparation method and use thereof 山东理工大学 2016-07-20 CN claimed
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN claimed
CN-103797022-B The method of purification of betulonic acid and Boc-Methionin betulonic acid, and utilize bridged piperazine derivatives to prepare the methodology of organic synthesis of betulonic acid acid amides KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2016-04-20 CN claimed
US-20080076776-A1 Therapeutic compounds BIOVITRUM AB (SE) 2008-03-27 US claimed
WO-2008000745-A2 ADENOSINE DERIVATIVES FOR THE TREATMENT OF PAIN BIOVITRUM AB (PUBL) (SE) 2008-01-03 WO claimed
JP-2000506513-A 2000-05-30 JP claimed
EP-0880532-A4 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS INC (US) 1999-06-09 EP claimed
EP-0880532-A1 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1998-12-02 EP claimed
EP-0804443-A4 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS INC (US) 1998-04-29 EP claimed
EP-0804443-A1 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1997-11-05 EP claimed
WO-1997028168-A1 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1997-08-07 WO claimed
WO-1996022297-A9 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS 1996-10-03 WO claimed
WO-1996022297-A1 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1996-07-25 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20080076776-A1 Therapeutic compounds FPR3, OGFR, OPRK1 ADRB1 453/4885HTR3E 262/4885HTR3B 198/4885

“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.