SCHEMBL2310562

SCHEMBL2310562

FC(F)(F)c1ccc2c(c1)CNC2

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.56
ASIC3 Q9UHC3 1/20 0.50
TDP2 O95551 1/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
HTR2A P28223 4/20 0.45
HTR2C P28335 4/20 0.45
HTR2B P41595 4/20 0.45
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 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
SCHEMBL29835145 1.00 PNMT (0.56) PNMTASIC3TDP2CHRNB2CHRNA4
Bromide SCHEMBL2310632 0.98 PNMT (0.54) PNMTASIC3TDP2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL29627981 0.98 PNMT (0.54) PNMTASIC3TDP2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL1647036 0.98 PNMT (0.54) PNMTASIC3TDP2CHRNB2CHRNA4
Bromide SCHEMBL2310627 0.96 PNMT (0.53) PNMTASIC3TDP2CHRNB2CHRNA4
SCHEMBL4820420 0.87 PNMT (0.56) PNMTASIC3TDP2CHRNB2CHRNA4
SCHEMBL183621 0.84 ASIC3 (0.60) PNMTASIC3HTR2AHTR2CHTR2B
SCHEMBL329770 0.84 ASIC3 (0.69) PNMTASIC3HTR2AHTR2CHTR2B
SCHEMBL29808272 0.84 ASIC3 (0.60) PNMTASIC3HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL1000104 0.83 ASIC3 (0.68) PNMTASIC3HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336603-A1 PROCESS FOR THE PREPARATION OF A CYP11A1 INHIBITOR AND INTERMEDIATES THEREOF ORION CORPORATION (FI) 2024-10-10 US claimed
WO-2022269134-A1 PROCESS FOR THE PREPARATION OF A CYP11A1 INHIBITOR AND INTERMEDIATES THEREOF ORION CORPORATION (FI) 2022-12-29 WO claimed
EP-4692079-A1 CYP11A1 INHIBITOR AND USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2026-02-11 EP disclosed
WO-2024217531-A1 CYP11A1 INHIBITORS AND USE THEREOF 西藏海思科制药有限公司 2024-10-24 WO disclosed
US-20240336603-A1 PROCESS FOR THE PREPARATION OF A CYP11A1 INHIBITOR AND INTERMEDIATES THEREOF ORION CORPORATION (FI) 2024-10-10 US disclosed
US-20240336603-A1 PROCESS FOR THE PREPARATION OF A CYP11A1 INHIBITOR AND INTERMEDIATES THEREOF ORION CORPORATION (FI) 2024-10-10 US disclosed
WO-2024201248-A1 COMPOUNDS AND METHODS FOR DEGRADING GSPT1 PIN THERAPEUTICS, INC. (KR) 2024-10-03 WO disclosed
WO-2024199262-A1 CYP11A1 INHIBITOR AND USE THEREOF 西藏海思科制药有限公司 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
EP-4359384-A1 PROCESS FOR THE PREPARATION OF A CYP11A1 INHIBITOR AND INTERMEDIATES THEREOF ORION CORPORATION (FI) 2024-05-01 EP disclosed
US-11858900-B2 Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives OCUTERRA THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-7482336-B2 Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-01-27 US disclosed
CN-100434420-C Compounds that block dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO (JP) 2008-11-19 CN disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20070254865-A1 2-substituted phenyl-5-fused heteroaryl cyclohexylamines; may be coadministered with metformin; non-insulin dependent diabetes MERCK SHARP & DOHME LLC 2007-11-01 US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
CN-1745063-A Compound inhibiting dipeptidyl peptidase iv SANWA KAGAKU KENKYUSHO CO (JP) 2006-03-08 CN disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 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 (6 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-20240336603-A1 PROCESS FOR THE PREPARATION OF A CYP11A1 INHIBITOR AND INTERMEDIATES THEREOF CYP11B1, CYP4A11, CYP19A1 PNMT 1364/4885ASIC3 4749/4885TDP2 3723/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS PNMT 3565/4885ASIC3 4787/4885TDP2 4681/4885
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 PNMT 4767/4885ASIC3 4146/4885TDP2 1147/4885
US-11858900-B2 Fluorinated 2-amino-4-(substituted amino)phenyl carbamate derivatives KCNQ2, KCNQ1, KCNQ3 PNMT 969/4885ASIC3 102/4885TDP2 1880/4885
US-20070254865-A1 2-substituted phenyl-5-fused heteroaryl cyclohexylamines; may be coadministered with metformin; non-insulin dependent diabetes DPP4, DPP3, DPP7 PNMT 353/4885ASIC3 2633/4885TDP2 902/4885
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 PNMT 2888/4885ASIC3 1772/4885TDP2 4176/4885

“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.