SCHEMBL3739445

SCHEMBL3739445

CON(C)C(=O)c1cccc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
GRM5 P41594 4/20 0.46
TRPM8 Q7Z2W7 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
MLYCD O95822 1/20 0.36
NPC1 O15118 1/20 0.36
GBA1 P04062 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL8374791 0.89 KDM4E (0.45) TRPM8RAB9ACYP1A2MEN1KMT2A
SCHEMBL14875787 0.83 P2RX7 (0.50) P2RX7GRM5TRPM8RAB9ACYP1A2
SCHEMBL8575197 0.82 P2RX7 (0.55) P2RX7GRM5RAB9ACYP1A2MEN1
SCHEMBL4088056 0.81 GRM5 (0.43) GRM5TRPM8CYP1A2MEN1KMT2A
SCHEMBL31546869 0.81 CTSA (0.40) TRPM8CYP1A2MEN1KMT2ACLK1
SCHEMBL307224 0.81 GRM4 (0.46) TRPM8RAB9ACYP1A2MEN1KMT2A
SCHEMBL31546875 0.81 CTSA (0.40) TRPM8CYP1A2MEN1KMT2ACLK1
SCHEMBL306066 0.81 ALDH1A1 (0.41) TRPM8RAB9ACYP1A2MEN1KMT2A
SCHEMBL14880117 0.81 TRPM8 (0.39) P2RX7TRPM8RAB9ACYP1A2MEN1
SCHEMBL5777696 0.80 KDM4E (0.49) GRM5RAB9AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 US disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 US disclosed
EP-4061809-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2022-09-28 EP disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
CN-114728941-A Substituted 1, 5-naphthyridines or quinolines as ALK5 inhibitors 施万生物制药研发IP有限责任公司 2022-07-08 CN disclosed
US-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS NIKANG THERAPEUTICS, INC. (US) 2021-11-18 US disclosed
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 US disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
EP-1601676-A2 FUSED IMIDAZOLES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-12-07 EP disclosed
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents BEIGHT DOUGLAS W 2005-10-06 US disclosed
EP-1543001-A1 NOVEL PYRAZOLOPYRIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2005-06-22 EP disclosed
WO-2004078110-A2 FUSED IMIZADOLES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-09-16 WO disclosed
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-09-09 US disclosed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US disclosed
WO-2004026871-A1 NOVEL PYRAZOLOPYRIDINE DERIVATVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 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 (8 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-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS ADORA2A, ADORA1, ADORA3 P2RX7 49/4885GRM5 746/4885TRPM8 1305/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 P2RX7 514/4885GRM5 620/4885TRPM8 740/4885
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A P2RX7 2892/4885GRM5 328/4885TRPM8 3182/4885
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents TGFB2, TGFB1, TGFBR1 P2RX7 618/4885GRM5 2325/4885TRPM8 235/4885
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 P2RX7 589/4885GRM5 944/4885TRPM8 1527/4885
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, SMAD2 P2RX7 4550/4885GRM5 2742/4885TRPM8 3953/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A P2RX7 2892/4885GRM5 328/4885TRPM8 3182/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A P2RX7 2892/4885GRM5 328/4885TRPM8 3182/4885

“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.