SCHEMBL330686

SCHEMBL330686

N#Cc1ccc2c(c1)CNC2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.75
DRD2 P14416 2/20 0.75
DRD3 P35462 2/20 0.75
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRND Q07001 1/20 0.46
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
KDM1A O60341 2/20 0.39
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL31403008 1.00 PNMT (0.75) PNMTDRD2DRD3CHRNA1CHRNG
Hydrochloric Acid SCHEMBL21800263 0.98 PNMT (0.72) PNMTDRD2DRD3CHRNA1CHRNG
SCHEMBL351435 0.86 PNMT (1.00) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL29365632 0.86 PNMT (1.00) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL1638541 0.86 DRD2 (1.00) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL29580085 0.86 DRD2 (1.00) PNMTDRD2DRD3ADRA2AADRA2B
Hydrochloric Acid SCHEMBL30015379 0.84 DRD2 (0.96) PNMTDRD2DRD3ADRA2AADRA2B
SCHEMBL20374032 0.84 PNMT (0.56) PNMTDRD2DRD3
Hydrochloric Acid SCHEMBL4224148 0.84 DRD2 (0.96) PNMTDRD2DRD3ADRA2AADRA2B
Hydrochloric Acid SCHEMBL65520 0.84 PNMT (0.96) PNMTDRD2DRD3ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551831-A CYP11A1 inhibitor 奥赖恩公司 2022-12-30 CN claimed
EP-4678644-A1 SUBSTITUTED DIHYDROTHIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Yidi Biotechnology Co., Ltd. (CN) 2026-01-14 EP disclosed
US-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds PFIZER INC. (US) 2025-10-16 US disclosed
EP-4590674-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2025-07-30 EP disclosed
WO-2024213089-A1 SUBSTITUTED DIHYDROTHIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海壹迪生物技术有限公司 2024-10-17 WO disclosed
WO-2024199421-A1 CYP11A1 INHIBITOR 山东轩竹医药科技有限公司 2024-10-03 WO disclosed
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD (CN) 2024-09-12 US disclosed
CN-115052596-B ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-14 CN disclosed
US-20240174631-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FGF ACTIVITY RECOVERY THERAPEUTICS, INC. 2024-05-30 US disclosed
EP-4291177-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FGF ACTIVITY Recovery Therapeutics, Inc. (US) 2023-12-20 EP disclosed
EP-1828125-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2007-09-05 EP disclosed
EP-1749007-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION Intermune, Inc. (US) 2007-02-07 EP disclosed
CN-1889970-A Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication INTERMUNE INC (US) 2007-01-03 CN disclosed
EP-1680137-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION Intermune, Inc. (US) 2006-07-19 EP disclosed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 WO disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 WO disclosed
US-20030158222-A1 2-3-dihydro-1H-isoindole derivatives useful as modulators of dopamine D3 receptors (an-tipsychotic agents) SMITHKLINE BEECHAM P.L.C. 2003-08-21 US disclosed
US-6521638-B1 Such as 2-(2-(1-(4-(3-(3-methanesulfonyl)phenylpropenoyl)-amino)cyclohexyl)ethyl) -2,3-dihydro-1H-isoindole; amidation of amine and carbonyl halide SMITHKLINE BEECHAM P.L.C. (DE) 2003-02-18 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 (5 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-20030158222-A1 2-3-dihydro-1H-isoindole derivatives useful as modulators of dopamine D3 receptors (an-tipsychotic agents) OPRD1, DRD3, OPRM1 PNMT 195/4885DRD2 6/4885DRD3 2/4885
US-20240174631-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FGF ACTIVITY FGF1, FGF2, FGFR1 PNMT 4852/4885DRD2 4709/4885DRD3 4755/4885
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 PNMT 4767/4885DRD2 4885/4885DRD3 4883/4885
US-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds HRH4, HNMT, NNT PNMT 511/4885DRD2 3450/4885DRD3 1931/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 PNMT 2339/4885DRD2 4860/4885DRD3 4852/4885

“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.