SCHEMBL1004099

SCHEMBL1004099

C[C@@H](N)c1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ADRB2 P07550 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
NR1I2 O75469 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
PDE2A O00408 2/20 0.35
GBA1 P04062 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL557913 1.00 IDO1 (0.42) IDO1TDO2ADRB2CES2CES1
SCHEMBL1728961 1.00 IDO1 (0.42) IDO1TDO2ADRB2CES2CES1
Hydrochloric Acid SCHEMBL1876903 0.97 IDO1 (0.45) IDO1TDO2ADRB2CES2CES1
Hydrochloric Acid SCHEMBL1003419 0.97 IDO1 (0.45) IDO1TDO2ADRB2CES2CES1
Hydrochloric Acid SCHEMBL16341078 0.97 IDO1 (0.45) IDO1TDO2ADRB2CES2CES1
SCHEMBL25078128 0.85 IDO1 (0.33) IDO1TDO2ADRB2CES2CES1
SCHEMBL17041581 0.85 ACHE (0.34) IDO1TDO2ADRB2PDE2A
SCHEMBL29337278 0.85 ACHE (0.34) IDO1TDO2ADRB2PDE2A
SCHEMBL1006029 0.84 GBA1 (0.36) IDO1TDO2ADRB2PDE2AGBA1
SCHEMBL16649721 0.84 ADRB2 (0.46) IDO1TDO2ADRB2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338262-B2 Modulators of TNF-alpha activity FORWARD THERAPEUTICS, INC. (US) 2025-06-24 US disclosed
US-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-08-22 US disclosed
CN-115490699-B Fused ring compound, pharmaceutical composition and application thereof 成都海博为药业有限公司 2024-08-09 CN disclosed
US-11987597-B2 Modulators of TNF-α activity FORWARD THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
CN-113271950-B Pyrimidine compound or salt thereof 大鹏药品工业株式会社 2024-04-30 CN disclosed
US-20240076306-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-03-07 US disclosed
WO-2023240253-A2 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023240253-A2 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-11780826-B2 Bisamide sarcomere activating compounds and uses thereof AMGEN INC. (US) 2023-10-10 US disclosed
US-11780826-B2 Bisamide sarcomere activating compounds and uses thereof AMGEN INC. (US) 2023-10-10 US disclosed
US-20110039892-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-17 US disclosed
EP-2269989-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-20090326272-A1 Method for Producing Optically Active 1-(Fluoro-, Trifluoromethyl- or Trifluoromethoxy-Substituted Phenyl) Alkylamine N-Monoalkyl Derivative CENTRAL GLASS COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
EP-2036881-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1-(FLUORO-, TRIFLUOROMETHYL- OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVE Central Glass Co., Ltd. (JP) 2009-03-18 EP disclosed
US-7368609-B2 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2008-05-06 US disclosed
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same CENTRAL GLASS CO., LTD. (JP) 2007-06-21 US disclosed
US-7186865-B2 Reacting optically active secondary amine with alkylation agent in presence of a base, thereby converting the secondary amine into an optically active tertiary amine and subjecting the tertiary amine to hydrogenolysis, producing the N-monoalkyl derivative; intermediates for drugs, agriculture CENTRAL GLASS COMPANY, LIMITED (JP) 2007-03-06 US disclosed
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2004-11-25 US 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 (10 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-20090326272-A1 Method for Producing Optically Active 1-(Fluoro-, Trifluoromethyl- or Trifluoromethoxy-Substituted Phenyl) Alkylamine N-Monoalkyl Derivative NAT1, MAOA, HNMT IDO1 232/4885TDO2 164/4885ADRB2 415/4885
US-11780826-B2 Bisamide sarcomere activating compounds and uses thereof TNNI3, TNNT2, TNNC1 IDO1 4536/4885TDO2 4727/4885ADRB2 397/4885
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same NAT1, PNMT, AFF1 IDO1 362/4885TDO2 262/4885ADRB2 37/4885
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 IDO1 1179/4885TDO2 2050/4885ADRB2 2719/4885
US-20110039892-A1 IMINOPYRIDINE DERIVATIVE AND USE THEREOF ADRA1D, ADRB1, ADRB2 IDO1 62/4885TDO2 2950/4885ADRB2 3/4885
US-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, TNFRSF1A, NFKBIA IDO1 1754/4885TDO2 4471/4885ADRB2 1258/4885
US-11987597-B2 Modulators of TNF-α activity TNF, TNFRSF1A, NFKBIA IDO1 1679/4885TDO2 4371/4885ADRB2 1337/4885
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same NAT1, AFF1, PNMT IDO1 626/4885TDO2 405/4885ADRB2 45/4885
US-20240076306-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, TNFRSF1A, NFKBIA IDO1 1754/4885TDO2 4471/4885ADRB2 1258/4885
US-12338262-B2 Modulators of TNF-alpha activity TNF, TNFRSF1A, NFKBIA IDO1 1754/4885TDO2 4471/4885ADRB2 1258/4885

“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.