SCHEMBL42288

SCHEMBL42288

NCC1(c2ccccc2)C=CC=CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.42
MAOA P21397 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
DPP4 P27487 2/20 0.40
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PNMT P11086 1/20 0.31

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
SCHEMBL28798142 1.00 MAOB (0.42) MAOBMAOATAAR1DPP4HTR2A
SCHEMBL27889476 1.00 MAOB (0.42) MAOBMAOATAAR1DPP4HTR2A
Methylamine SCHEMBL42507 0.96 MAOB (0.40) MAOBMAOATAAR1DPP4HTR2A
SCHEMBL28682799 0.82 MAOB (0.34) MAOBMAOATAAR1
SCHEMBL28931899 0.82 SLC6A3 (0.42) MAOBMAOATAAR1SLC6A4SLC6A3
SCHEMBL588410 0.82 SLC6A4 (0.42) MAOBMAOATAAR1SLC6A4SLC6A3
Methylamine SCHEMBL28201991 0.82 MEN1 (0.33) MAOBMAOATAAR1DPP4
SCHEMBL28678419 0.82 MEN1 (0.35) TAAR1HTR2A
SCHEMBL12466046 0.82 SLC6A4 (0.42) MAOBMAOATAAR1SLC6A4SLC6A3
SCHEMBL7453568 0.81 GAA (0.34) MAOBMAOATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-09-26 US claimed
US-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS BACHMANN STEPHAN 2011-05-05 US claimed
EP-2029541-B1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2009-12-30 EP claimed
CN-101460461-A Process for preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carboxylic acids HOFFMANN LA ROCHE (CH) 2009-06-17 CN claimed
EP-2029541-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOXYLIC ACIDS F. Hoffmann-Roche AG (CH) 2009-03-04 EP claimed
WO-2007113155-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC Β-ARYL OR HETEROARYL CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-11 WO claimed
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids HOFFMANN-LA ROCHE INC. 2007-10-04 US claimed
CN-111295373-B Compositions and methods for treating brain injury 阿泽凡药物公司 2024-12-10 CN disclosed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
CN-116327950-A Use of a composition for the treatment of neuropsychiatric symptoms of neurodegenerative diseases 阿泽范药品公司 2023-06-27 CN disclosed
CN-116139282-A Compositions and methods for treating neurodegenerative diseases 阿泽范药品公司 2023-05-23 CN disclosed
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
US-11628160-B2 Compositions and methods for treating brain injury AZEVAN PHARMACEUTICALS, INC. (US) 2023-04-18 US disclosed
EP-2011783-A1 Process for the preparation of an indole derivative F. HOFFMANN-LA ROCHE AG (CH) 2009-01-07 EP disclosed
CN-101208010-A Beta-lactamylalkanoic acids for the treatment of premenstrual disorders AZEVAN PHARMACEUTICALS INC (US) 2008-06-25 CN disclosed
EP-1868434-A2 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS Azevan Pharmaceuticals, Inc. (US) 2007-12-26 EP disclosed
WO-2007113155-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC Β-ARYL OR HETEROARYL CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-11 WO disclosed
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids HOFFMANN-LA ROCHE INC. 2007-10-04 US disclosed
WO-2006102308-A2 BETA-LACTAMYL VASOPRESSIN V1B ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2006-09-28 WO disclosed
WO-2006102283-A2 BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS AZEVAN PHARMACEUTICALS, INC. (US) 2006-09-28 WO 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT MAOB 217/4885MAOA 313/4885TAAR1 3840/4885
US-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS AHR, AR, CYP8B1 MAOB 632/4885MAOA 465/4885TAAR1 736/4885
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS AHR, CYP8B1, ADRA2C MAOB 701/4885MAOA 544/4885TAAR1 776/4885
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids AHR, CYP8B1, ADRA2C MAOB 701/4885MAOA 544/4885TAAR1 776/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B MAOB 247/4885MAOA 240/4885TAAR1 173/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT MAOB 217/4885MAOA 313/4885TAAR1 3840/4885

“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.