SCHEMBL194151

SCHEMBL194151

c1cc(N2CCNCC2)ncn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 2/20 0.59
ADRB2 P07550 1/20 0.55
NCF1 P14598 1/20 0.55
HRH3 Q9Y5N1 1/20 0.54
SORD Q00796 1/20 0.51
ADRB1 P08588 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
BPTF Q12830 1/20 0.44
HRH4 Q9H3N8 3/20 0.44
CYP1A2 P05177 2/20 0.44
DRD4 P21917 1/20 0.44
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
HPGD P15428 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTR3E A5X5Y0 1/20 0.43

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
SCHEMBL15863561 1.00 PLD1 (0.59) PLD1ADRB2NCF1HRH3SORD
Hydrochloric Acid SCHEMBL31394440 0.98 PLD1 (0.58) PLD1ADRB2NCF1HRH3SORD
Hydrochloric Acid SCHEMBL4808448 0.98 PLD1 (0.58) PLD1ADRB2NCF1HRH3SORD
SCHEMBL9767811 0.86
SCHEMBL30775404 0.82 SORD (0.56) SORDALDH1A1DRD4TSHRSMN1; SMN2
SCHEMBL4453478 0.82 SORD (0.56) SORDALDH1A1DRD4TSHRSMN1; SMN2
SCHEMBL29611181 0.80 SORD (0.54) SORDALDH1A1HRH4CYP1A2DRD4
SCHEMBL209842 0.80 SORD (0.54) SORDALDH1A1HRH4CYP1A2DRD4
SCHEMBL209844 0.80 SORD (0.54) SORDALDH1A1HRH4CYP1A2DRD4
SCHEMBL6180963 0.79 LSS (0.60) SORDKDM4E

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 188 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110337293-A Therapeutic compound 新泽西鲁特格斯州立大学 2019-10-15 CN claimed
CN-106543089-A A kind of synthetic method of Dasatinib intermediate 山东铂源药业有限公司 2017-03-29 CN claimed
CN-102108092-B 23-hydroxy betulinic acid derivative as well as preparation method and application thereof UNIV JINAN 2014-07-02 CN claimed
US-8202868-B2 4-piperazinyl-pyrimidine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2012-06-19 US claimed
CN-102108092-A 23-hydroxy betulinic acid derivative as well as preparation method and application thereof UNIV JINAN 2011-06-29 CN claimed
EP-1778684-B1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D<sb>3</sb> RECEPTOR ABBOTT GMBH & CO KG (DE) 2009-12-16 EP claimed
US-20090264437-A1 4-Piperazinyl-Pyrimidine Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO. KG (DE) 2009-10-22 US claimed
EP-1778684-A1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D<sb>3</sb> RECEPTOR Abbott GmbH & Co. KG (DE) 2007-05-02 EP claimed
WO-2006015842-A1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-02-16 WO claimed
CN-1202087-C Derivatives of acyl-piperazinil-pyrimidins, preparation thereof and application as medicaments ESTEVE LABOR DR (ES) 2005-05-18 CN claimed
CN-1268124-A Acyl-piperazinyl-pyrimidine derivatives, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2000-09-27 CN claimed
US-5059599-A Anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1991-10-22 US claimed
WO-2026101698-A1 HEPCIDIN MIMETIC COMPOUNDS AND USES THEREOF PROTAGONIST THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
US-20250382301-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF UNIV ARIZONA (US) 2025-12-18 US disclosed
US-12454547-B2 Steroidal compositions and methods of treating lipogenic cancers Asteroid Therapeutics (US) 2025-10-28 US disclosed
EP-3630779-B1 ANTIBIOTIC RESISTANCE BREAKERS KING S COLLEGE LONDON (GB) 2025-09-03 EP disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US 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 (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-12454547-B2 Steroidal compositions and methods of treating lipogenic cancers SREBF1, SREBF2, NR1H3 PLD1 1658/4885ADRB2 2468/4885NCF1 2920/4885
US-20090264437-A1 4-Piperazinyl-Pyrimidine Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ADRA1D, ADRA1A, ADRA2A PLD1 516/4885ADRB2 32/4885NCF1 3179/4885
US-20250382301-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK3, CLK1 PLD1 1714/4885ADRB2 2777/4885NCF1 3847/4885

“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.