SCHEMBL1541692

SCHEMBL1541692

CNC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.57
SIGMAR1 Q99720 2/20 0.57
SLC18A2 Q05940 1/20 0.57
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NCOA1 Q15788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 1/20 0.49
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL13621571 1.00 TAAR1 (0.57) TAAR1SIGMAR1SLC18A2HTTALDH1A1
SCHEMBL13621464 1.00 TAAR1 (0.57) TAAR1SIGMAR1SLC18A2HTTALDH1A1
SCHEMBL11099393 0.88 SMN1; SMN2 (0.49) TAAR1SIGMAR1SLC18A2HTTALDH1A1
SCHEMBL9321453 0.87 SLC6A2 (0.59) TAAR1SIGMAR1SLC18A2HTTALDH1A1
SCHEMBL27629283 0.87 TAAR1 (0.44) TAAR1SIGMAR1SLC18A2HTTALDH1A1
SCHEMBL9322810 0.87 SLC6A4 (0.55) TAAR1SIGMAR1SLC18A2HTTALDH1A1
Maleic Acid SCHEMBL7272390 0.86 TAAR1 (0.55) TAAR1HTTALDH1A1NCOA1SMN1; SMN2
Fumaric Acid SCHEMBL7272401 0.86 TAAR1 (0.55) TAAR1HTTALDH1A1NCOA1SMN1; SMN2
SCHEMBL19257741 0.84 SLC6A3 (0.50) TAAR1SIGMAR1SLC18A2HTTALDH1A1
SCHEMBL9054645 0.82 OPRK1 (0.50) TAAR1SIGMAR1SLC18A2KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US 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-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO 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
EP-3048098-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AbbVie Bahamas Limited (BS) 2016-07-27 EP disclosed
EP-0279937-B1 2-AMINOACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1991-10-09 EP disclosed
US-5047541-A 2-azacyclocarboxamide derivatives FISONS CORPORATION (US) 1991-09-10 US disclosed
WO-1991011995-A1 ARYLALKYL-AMINES AND -AMIDES HAVING ANTICONVULSANT AND NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1991-08-22 WO disclosed
EP-0401253-A1 2-AMINO ACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1990-12-12 EP disclosed
EP-0356035-A2 Arylkalkyl-amines and -amides having anticonvulsant and neuroprotective properties Astra Aktiebolag (SE) 1990-02-28 EP disclosed
US-4871872-A 2-[(2-aminoacetyl)amino]acetamide derivatives FISONS CORPORATION (US) 1989-10-03 US disclosed
EP-0326240-A1 2-Amino acetamide derivatives FISONS CORPORATION (US) 1989-08-02 EP disclosed
WO-1989006646-A1 2-AMINO ACETAMIDE DERIVATIVES FISONS CORPORATION (US) 1989-07-27 WO disclosed
EP-0279937-A1 2-Aminoacetamide derivatives FISONS CORPORATION (US) 1988-08-31 EP disclosed
EP-0278089-A2 2-Azacyclocarboxamide derivatives FISONS CORPORATION (a Massachusetts corporation) (US) 1988-08-17 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 TAAR1 3434/4885SIGMAR1 517/4885SLC18A2 4204/4885
US-20230142111-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2D, GRIN2A, GRIN2C TAAR1 123/4885SIGMAR1 232/4885SLC18A2 62/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 TAAR1 3354/4885SIGMAR1 3483/4885SLC18A2 1168/4885
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders GRIN2A, GRIN2C, GRIN2D TAAR1 193/4885SIGMAR1 1401/4885SLC18A2 58/4885
US-20180008559-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2A, GRIN2C, GRIN2D TAAR1 193/4885SIGMAR1 1401/4885SLC18A2 58/4885
US-10555916-B2 NMDAR antagonist for the treatment of pervasive development disorders MECP2, GRIN2A, GRIN2B TAAR1 669/4885SIGMAR1 1494/4885SLC18A2 76/4885

“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.