SCHEMBL423741

SCHEMBL423741

Cc1cc(C(F)(F)F)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
BACE1 P56817 2/20 0.55
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
TLR7 Q9NYK1 1/20 0.54
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
ADRB2 P07550 1/20 0.50
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
PRNP P04156 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL31473229 1.00 CYP1A2 (0.58) CYP1A2BACE1ADORA2AADORA1TLR7
SCHEMBL10336509 0.83 CYP1A2 (0.60) CYP1A2BACE1KMT2AKDM4EMAPT
SCHEMBL11955138 0.83 CYP1A2 (0.60) CYP1A2BACE1KMT2AKDM4EMAPT
SCHEMBL31393171 0.82 CYP1A2 (0.50) CYP1A2BACE1ADORA2AADORA1TLR7
SCHEMBL12961030 0.80 ADRB2 (0.57) TLR7KMT2AKDM4EMAPTL3MBTL1
SCHEMBL18463900 0.80 CYP1A2 (0.56) CYP1A2BACE1KMT2AKDM4EMAPT
SCHEMBL3300391 0.79 BACE1 (0.66) CYP1A2BACE1ADORA2AADORA1TLR7
SCHEMBL28311336 0.79 ADORA2A (0.55) BACE1ADORA2AADORA1TLR7KMT2A
SCHEMBL693661 0.79 NT5E (0.62) BACE1ADORA2AADORA1TLR7KMT2A
Ethane SCHEMBL8441819 0.79 ADORA2A (0.55) BACE1ADORA2AADORA1TLR7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
EP-1373199-A4 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-07 EP disclosed
EP-1373199-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) Bristol-Myers Squibb Pharma Company (US) 2004-01-02 EP disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
WO-2003040103-A1 β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 WO disclosed
WO-2003031431-A1 CYCLIC SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-17 WO disclosed
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 WO disclosed
US-4442107-A HYPOTENSIVE, ANTIARRHYTHMIA ACF CHEMIEFARMA N.V. (NL) 1984-04-10 US disclosed
US-4442106-A HYPOTENSIVE, ANTIARRHYTHMIA ACF CHEMIEFARMA N.V. (NL) 1984-04-10 US disclosed
EP-0035820-A2 Novel quinoline derivatives, pharmaceutical compositions containing such compounds, and method for the preparation of these compounds ACF CHEMIEFARMA NV (NL) 1981-09-16 EP disclosed
EP-0035821-A1 Quinoline derivatives, pharmaceutical compositions containing such compounds, and method for the preparation of these compounds ACF Chemiefarma N.V. (NL) 1981-09-16 EP 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-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 CYP1A2 121/4885BACE1 2376/4885ADORA2A 131/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 CYP1A2 121/4885BACE1 2376/4885ADORA2A 131/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 CYP1A2 121/4885BACE1 2376/4885ADORA2A 131/4885

“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.