SCHEMBL4491073

SCHEMBL4491073

c1c[nH]c(N2CCNCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.48
HTR3E A5X5Y0 3/20 0.48
HTR3B O95264 3/20 0.48
HTR3A P46098 3/20 0.48
HTR3D Q70Z44 3/20 0.48
HTR3C Q8WXA8 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
HTR6 P50406 3/20 0.44
PLD1 Q13393 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ADRB2 P07550 1/20 0.41
NCF1 P14598 1/20 0.41
HTR1A P08908 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
Piperazine SCHEMBL28080108 0.86 USP2 (0.38) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL28106504 0.82
SCHEMBL261863 0.82 GFER (0.39) KDM4EALDH1A1TP53THRBHTT
Benzamide SCHEMBL6607765 0.81 OPRD1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1478216 0.80 NPC1 (0.41) KDM4EALDH1A1TP53THRBHTT
SCHEMBL3833537 0.78 LMNA (0.48) KDM4EALDH1A1TP53CYP1A2HTT
SCHEMBL28101765 0.77 ADRA2C (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28583221 0.76 CHRNB2 (0.38) HTR3AHTR6ALDH1A1HTR1AHTR2A
SCHEMBL7189439 0.75 HDAC8 (0.34) KDM4EDRD2DRD3
SCHEMBL9933428 0.72 ADRB1 (0.52) 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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071517-A Crystal form of brexpiprazole and preparation method thereof 浙江华海药业股份有限公司 2018-12-21 CN claimed
CN-107936005-A One kind is according to piperazine azoles novel crystal forms II and preparation method thereof 上海科胜药物研发有限公司 2018-04-20 CN claimed
CN-107365305-A One kind is according to piperazine azoles novel crystal forms and preparation method thereof 上海奥博生物医药技术有限公司 2017-11-21 CN claimed
CN-120192314-A Aryl heterocycle Kv1.3 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2025-06-24 CN disclosed
CN-117946111-A Aryl heterocycle Kv1.3 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-04-30 CN disclosed
US-11851391-B2 Antifungal compounds and methods of forming the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-12-26 US disclosed
US-11564394-B2 Distorted gold (I)-phosphine complexes and and methods for use as antifungal agents UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-01-31 US disclosed
US-20210195903-A1 DISTORTED GOLD (I)-PHOSPHINE COMPLEXES AND AND METHODS FOR USE AS ANTIFUNGAL AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2021-07-01 US disclosed
US-20200024224-A1 ANTIFUNGAL COMPOUNDS AND METHODS OF FORMING THE SAME UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2020-01-23 US disclosed
CN-110461842-A FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL 2019-11-15 CN disclosed
CN-109988162-A One kind is according to piperazine Zole derivatives and preparation method thereof 武汉兴华智慧医药科技有限公司 2019-07-09 CN disclosed
CN-101074242-A Cells accumulation for sphosphonate analogs of HIV protease inhibitor compound and the same compound GILEAD SCIENCES INC (US) 2007-11-21 CN disclosed
US-20060142365-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-06-29 US disclosed
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US disclosed
US-20040166137-A1 Hetero-substituted benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2004-08-26 US disclosed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US disclosed
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 EP disclosed
US-6153616-A Triazoles as therapeutic agents for fungal infections SYNPHAR LABORATORIES, INC. (CA) 2000-11-28 US disclosed
EP-0889881-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES INC. (CA) 1999-01-13 EP disclosed
WO-1998031675-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES, INC. (US) 1998-07-23 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 (7 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-11564394-B2 Distorted gold (I)-phosphine complexes and and methods for use as antifungal agents DPM1, DSTN, PHOSPHO1 ADRB1 4833/4885HTR3E 4526/4885HTR3B 4115/4885
US-20210195903-A1 DISTORTED GOLD (I)-PHOSPHINE COMPLEXES AND AND METHODS FOR USE AS ANTIFUNGAL AGENTS DPM1, DSTN, PHOSPHO1 ADRB1 4833/4885HTR3E 4526/4885HTR3B 4115/4885
US-20060142365-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 ADRB1 3415/4885HTR3E 1875/4885HTR3B 3144/4885
US-11851391-B2 Antifungal compounds and methods of forming the same DPM1, ERG28, SUCLG1 ADRB1 4317/4885HTR3E 4700/4885HTR3B 4264/4885
US-20200024224-A1 ANTIFUNGAL COMPOUNDS AND METHODS OF FORMING THE SAME DPM1, ERG28, SUCLG1 ADRB1 4317/4885HTR3E 4700/4885HTR3B 4264/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 ADRB1 3415/4885HTR3E 1875/4885HTR3B 3144/4885
US-20040166137-A1 Hetero-substituted benzimidazole compounds and antiviral uses thereof MAVS, TIMM13, TIMM10 ADRB1 2875/4885HTR3E 368/4885HTR3B 824/4885

“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.