SCHEMBL5402204

SCHEMBL5402204

NC(c1ccccc1)C(c1ccccc1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.56
F2 P00734 1/20 0.44
TACR1 P25103 1/20 0.38
HTR2A P28223 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8615346 0.77 TAAR1 (0.46) DPP4F2HTR2ATAAR1
SCHEMBL503566 0.75 CYP2D6 (0.43) DPP4LMNA
SCHEMBL503603 0.75 CYP2D6 (0.43) DPP4LMNA
SCHEMBL6022367 0.75 CYP2D6 (0.43) DPP4LMNA
SCHEMBL8097109 0.74 TAAR1 (0.40) TAAR1ADRA2AADRA2CLMNAHIF1A
SCHEMBL14367700 0.74 TAAR1 (0.40) TAAR1ADRA2AADRA2CLMNAHIF1A
SCHEMBL851654 0.74 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL644767 0.74 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL239938 0.74 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL2067094 0.74 DPP4 (1.00) DPP4F2HTR2ATAAR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356035-B1 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1996-03-13 EP claimed
US-20230142111-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-11 US disclosed
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders CASE WESTERN RESERVE UNIVERSITY (US) 2022-01-04 US disclosed
US-10555916-B2 NMDAR antagonist for the treatment of pervasive development disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-11 US disclosed
EP-3485882-A1 COMPOSITIONS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS Case Western Reserve University (US) 2019-05-22 EP disclosed
EP-2948135-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS UNIV CASE WESTERN RESERVE (US) 2019-01-02 EP disclosed
US-20180008559-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-01-11 US disclosed
US-20150359759-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS CASE WESTERN RESERVE UNIVERSITY 2015-12-17 US disclosed
EP-2948135-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS Case Western Reserve University (US) 2015-12-02 EP disclosed
WO-2014117089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2014-07-31 WO disclosed
US-5539120-A Arylalkyl-amines having anticonvulsant and neuroprotective properties AGENCE SPATIALE EUROPEENNE (FR) 1996-07-23 US disclosed
EP-0356035-B1 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties ASTRA AB (SE) 1996-03-13 EP disclosed
US-5430044-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (GB) 1995-07-04 US disclosed
EP-0648745-A1 Arylalkylamine having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1995-04-19 EP disclosed
EP-0648489-A1 Arylalkylamides having neuroprotective properties FISONS CORPORATION (US) 1995-04-19 EP disclosed
US-5331007-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (US) 1994-07-19 US disclosed
WO-1991011995-A1 ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1991-08-22 WO disclosed
EP-0356035-A2 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1990-02-28 EP disclosed
US-4798687-A 2-Amino-N-[1,2-Diphenyl-1-(thifluoromethyl)ethyl]acetamide derivatives PENNWALT CORPORATION (US) 1989-01-17 US disclosed
EP-0279938-A1 2-Aminoacetamide trifluoromethyl derivatives FISONS CORPORATION (US) 1988-08-31 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 (5 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-20230142111-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2D, GRIN2A, GRIN2C DPP4 3170/4885F2 3402/4885TACR1 269/4885
US-20150359759-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS MECP2, GRIN2A, GRIN2C DPP4 3709/4885F2 4673/4885TACR1 1746/4885
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders GRIN2A, GRIN2C, GRIN2D DPP4 3601/4885F2 4114/4885TACR1 259/4885
US-20180008559-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2A, GRIN2C, GRIN2D DPP4 3601/4885F2 4114/4885TACR1 259/4885
US-10555916-B2 NMDAR antagonist for the treatment of pervasive development disorders MECP2, GRIN2A, GRIN2B DPP4 2998/4885F2 4802/4885TACR1 1832/4885

“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.