SCHEMBL531923

SCHEMBL531923

Nc1ccc(N2CCNCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.63
HTR3E A5X5Y0 3/20 0.63
HTR3B O95264 3/20 0.63
HTR3A P46098 3/20 0.63
HTR3D Q70Z44 3/20 0.63
HTR3C Q8WXA8 3/20 0.63
SIGMAR1 Q99720 3/20 0.63
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 4/20 0.59
MAPT P10636 4/20 0.59
GAA P10253 3/20 0.59
HTT P42858 2/20 0.59
KMT2A Q03164 2/20 0.59
USP2 O75604 2/20 0.59
HSD17B10 Q99714 2/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.59
THRB P10828 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
Piperazine SCHEMBL28708983 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL12832086 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6151182 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6151619 0.98 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL3236795 0.98 ALDH1A1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL6152907 0.96 MAPT (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2319970 0.92 ALDH1A1 (0.62) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL3214287 0.90 ALDH1A1 (0.66) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5570604 0.88 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14889015 0.87 MAPT (0.50) 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 651 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136781-A ROR 1-targeted inhibitor and synthesis method and application thereof 北京大学 2025-06-13 CN claimed
CN-115108931-B Tofenamic acid derivative and preparation and application thereof 南华大学附属第一医院 2024-06-14 CN claimed
CN-118085890-A Liquid crystal aligning agent and preparation method and application thereof 合肥中聚和成电子材料有限公司 2024-05-28 CN claimed
CN-116178880-B Preparation method of intumescent flame retardant modified ABS resin 揭阳市万润新材料有限公司 2024-05-28 CN claimed
CN-117866199-B Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element thereof 烟台三月科技有限责任公司 2024-05-28 CN claimed
CN-117866199-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element thereof 烟台三月科技有限责任公司 2024-04-12 CN claimed
CN-117777003-A 4-piperazinyl anilino and 2-piperazinyl propionamido derivatives and application thereof in preparation of anti-pulmonary fibrosis drugs 清远中大创新药物研究中心 2024-03-29 CN claimed
CN-116814278-A Liquid crystal aligning agent, liquid crystal alignment film prepared by using the same and display element containing the alignment film 合肥中聚和成电子材料有限公司 2023-09-29 CN claimed
CN-116178880-A Preparation method of intumescent flame retardant modified ABS resin 揭阳市万润新材料有限公司 2023-05-30 CN claimed
CN-113045755-B Alignment film material, liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element 深圳清荷科技有限公司 2023-03-17 CN claimed
EP-1809381-A2 USE OF COMPOUNDS FOR THE PREVENTION OF DRUG-INDUCED CELL TOXICITY Recepticon ApS (DK) 2007-07-25 EP claimed
EP-1781647-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 EP claimed
US-20070004727-A1 Use of compounds for the prevention of drug-induced cell toxicity RECEPTION APS C/O OSTYSK INNOVATION A/S (DK) 2007-01-04 US claimed
WO-2006037335-A2 USE OF COMPOUNDS FOR THE PREVENTION OF DRUG-INDUCED CELL TOXICITY RECEPTICON APS (DK) 2006-04-13 WO claimed
WO-2006008545-A2 THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-01-26 WO claimed
EP-1610773-A2 USE OF COMPOUNDS FOR THE PREVENTION OF DRUG-INDUCED CELL TOXICITY Recepticon ApS (DK) 2006-01-04 EP claimed
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 US claimed
WO-2004084876-A2 USE OF COMPOUNDS FOR THE PREVENTION OF DRUG-INDUCED CELL TOXICITY RECEPTICON APS (DK) 2004-10-07 WO claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US 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 (3 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-20070004727-A1 Use of compounds for the prevention of drug-induced cell toxicity SLC10A6, SLC47A1, SLC47A2 ADRB1 1450/4885HTR3E 1108/4885HTR3B 1028/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A ADRB1 69/4885HTR3E 19/4885HTR3B 4/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B ADRB1 61/4885HTR3E 18/4885HTR3B 6/4885

“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.