SCHEMBL2004401

SCHEMBL2004401

N#Cc1cccc(CCN)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.54
TAAR1 Q96RJ0 8/20 0.52
DRD2 P14416 1/20 0.52
DRD1 P21728 1/20 0.52
GLA P06280 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.47
CYP2A6 P11509 1/20 0.46
HTR2A P28223 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR6 P50406 2/20 0.46
HTR2C P28335 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
NOS1 P29475 1/20 0.45
KIF11 P52732 1/20 0.44
CNR1 P21554 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
Hydrochloric Acid SCHEMBL17646469 0.98 ADRA2C (0.53) ADRA2CTAAR1DRD2DRD1GLA
Hydrochloric Acid SCHEMBL29678214 0.98 ADRA2C (0.53) ADRA2CTAAR1DRD2DRD1GLA
SCHEMBL6420561 0.89 ADRA2C (0.47) ADRA2CGLALOXL2CYP2A6HTR6
SCHEMBL2154019 0.87 GLA (0.53) GLAMEN1KMT2ACYP19A1CYP11B1
Trifluoroacetic Acid SCHEMBL3750230 0.84 FFAR1 (0.49) ADRA2CTAAR1DRD2DRD1KIF11
SCHEMBL27986680 0.84 GLA (0.47) ADRA2CGLALOXL2MEN1KMT2A
SCHEMBL28248372 0.83 HTR2B (0.54) DRD2GLAMEN1KMT2ACYP19A1
SCHEMBL28865565 0.83 HTR2B (0.50) DRD2GLAMEN1KMT2ACYP19A1
SCHEMBL580840 0.83 LOXL2 (0.61) ADRA2CGLALOXL2CYP19A1CYP11B1
Water SCHEMBL5709133 0.83 LOXL2 (0.61) ADRA2CGLALOXL2CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
EP-3875458-A1 DIPHENYL-LIKE COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USES THEREOF Shanghai Maxinovel Pharmaceuticals Co., Ltd. (CN) 2021-09-08 EP disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
US-9783500-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-10-10 US disclosed
US-9663468-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed
EP-0907731-B1 METABOTROPIC GABA(B) RECEPTORS, RECEPTOR-SPECIFIC LIGANDS AND THEIR USES NOVARTIS AG (CH) 2005-03-02 EP disclosed
EP-1343749-A2 METHOD FOR PRODUCING PRIMARY AND SECONDARY AMINES BY HYDROGENATING NITRILES AND IMINES Degussa AG (DE) 2003-09-17 EP disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
US-20020091250-A1 Metabotropic GABA [B] receptors, receptor-specific ligands and their uses NOVARTIS AG (CH) 2002-07-11 US disclosed
WO-2002051791-A2 METHOD FOR PRODUCING PRIMARY AND SECONDARY AMINES BY HYDROGENATING NITRILES AND IMINES DEGUSSA AG (DE) 2002-07-04 WO disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed
EP-0907731-A1 METABOTROPIC GABA(B) RECEPTORS, RECEPTOR-SPECIFIC LIGANDS AND THEIR USES Novartis AG (CH) 1999-04-14 EP disclosed
WO-1997046675-A1 METABOTROPIC GABA[B] RECEPTORS, RECEPTOR-SPECIFIC LIGANDS AND THEIR USES NOVARTIS AG (CH) 1997-12-11 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 (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-20020091250-A1 Metabotropic GABA [B] receptors, receptor-specific ligands and their uses GABBR1, GABBR2, GABRB1 ADRA2C 401/4885TAAR1 118/4885DRD2 488/4885
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A ADRA2C 509/4885TAAR1 2347/4885DRD2 1049/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A ADRA2C 509/4885TAAR1 2347/4885DRD2 1049/4885
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS3, NOS1 ADRA2C 376/4885TAAR1 797/4885DRD2 1055/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 ADRA2C 45/4885TAAR1 1932/4885DRD2 785/4885

“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.