SCHEMBL5068876

SCHEMBL5068876

Cc1ccc2c(c1)CNC2

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
METAP1 P53582 1/20 0.39
PARP10 Q53GL7 2/20 0.38
PARP11 Q9NR21 1/20 0.38
PARP1 P09874 1/20 0.38
PNMT P11086 3/20 0.38
CYP1A2 P05177 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
CYP2A6 P11509 1/20 0.38
HTR5A P47898 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 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
SCHEMBL30560114 1.00 CHRNB2 (0.41) CHRNB2CHRNA4METAP1PARP10PARP11
Hydrochloric Acid SCHEMBL3118573 0.98 CHRNB2 (0.39) CHRNB2CHRNA4METAP1PARP10PARP11
SCHEMBL12773143 0.83 PARP10 (0.46) CHRNB2CHRNA4METAP1PARP10PARP11
SCHEMBL1001109 0.82 ASIC3 (0.60) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL29587394 0.82 PNMT (0.60) PNMTADRA2AADRA2BADRA2C
SCHEMBL3240344 0.82 PNMT (0.60) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL29587818 0.81 PNMT (0.58) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL21331206 0.81 PNMT (0.58) PNMTADRA2AADRA2BADRA2C
SCHEMBL11344972 0.79 CYP1A2 (0.56) CHRNB2CHRNA4CYP1A2CYP2A6MEN1
SCHEMBL7865689 0.79 ASIC3 (0.47) PARP10PARP11PARP1PNMTADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2022-05-17 US claimed
EP-3728248-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-02-02 EP claimed
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-12-17 US claimed
EP-3728248-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2020-10-28 EP claimed
US-20250353833-A1 DPP9 BINDING COMPOUNDS UNIV ANTWERPEN (BE) 2025-11-20 US disclosed
CN-119243183-A Synthesis method of nitrosamine organic compound 中国科学技术大学 2025-01-03 CN disclosed
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 US disclosed
US-20240231230-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-07-11 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-11858900-B2 Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives OCUTERRA THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
WO-2023233024-A1 DPP9 BINDING COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2023-12-07 WO disclosed
US-5869518-A USEFUL IN THE TREATMENT OF OBESITY AND HYPERGLYCEMIA SYNTHELABO (FR) 1999-02-09 US disclosed
CN-1188478-A Azacycloalcane derivatives, preparation thereof and their applications in therapy SYNTHELABO (FR) 1998-07-22 CN disclosed
EP-0823912-A1 AZACYCLOALCANE DERIVATIVES, PREPARATION THEREOF AND THEIR APPLICATIONS IN THERAPY SYNTHELABO (FR) 1998-02-18 EP disclosed
WO-1996034870-A1 AZACYCLOALCANE DERIVATIVES, PREPARATION THEREOF AND THEIR APPLICATIONS IN THERAPY SYNTHELABO (FR) 1996-11-07 WO disclosed
US-5326760-A Aminobutanoic acid compounds having metalloprotease inhibiting properties GLAXO, INC. (US) 1994-07-05 US disclosed
US-4954590-A SUBJECTING ISOINDOLINE ISOINDOLE COMPOUND TO OXIDATIVE POLYMERIZATION; ELECTROCONDUCTIVE POLYMER SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-09-04 US disclosed
US-4833231-A Polymer having isoindole structure SHOWA DENKO KABUSHIKI KAISHA (JP) 1989-05-23 US disclosed
EP-0248915-A1 POLYMERS HAVING ISOINDOLE STRUCTURE AND PROCESS FOR THEIR PREPARATION SHOWA DENKO KABUSHIKI KAISHA (JP) 1987-12-16 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 (7 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-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors ROCK1, ROCK2, RHOA CHRNB2 1273/4885CHRNA4 1909/4885METAP1 1481/4885
US-11858900-B2 Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives KCNQ2, KCNQ1, KCNQ3 CHRNB2 502/4885CHRNA4 261/4885METAP1 2811/4885
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA CHRNB2 1273/4885CHRNA4 1909/4885METAP1 1481/4885
US-20250353833-A1 DPP9 BINDING COMPOUNDS DPP9, DPP7, DPP3 CHRNB2 4637/4885CHRNA4 4752/4885METAP1 46/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 CHRNB2 3736/4885CHRNA4 3015/4885METAP1 1392/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 CHRNB2 3043/4885CHRNA4 2677/4885METAP1 1488/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CHRNB2 2690/4885CHRNA4 4786/4885METAP1 22/4885

“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.