SCHEMBL416652

SCHEMBL416652

NCCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.64
HTR2A P28223 2/20 0.61
TAAR1 Q96RJ0 3/20 0.60
AKT2 P31751 1/20 0.55
CYP2A6 P11509 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
MAOB P27338 3/20 0.50
FFAR1 O14842 1/20 0.50
HDAC2 Q92769 1/20 0.49
FDFT1 P37268 1/20 0.49
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL8911924 0.93 MAOA (0.75) MAOAHTR2ATAAR1AKT2CYP2A6
SCHEMBL1579623 0.91 MAOA (0.72) MAOAHTR2ATAAR1AKT2CYP2A6
Hydrochloric Acid SCHEMBL11697432 0.91 MAOA (0.72) MAOAHTR2ATAAR1CYP2A6SMN1; SMN2
SCHEMBL15245000 0.91 AKT2 (0.62) MAOAHTR2ATAAR1AKT2CYP2A6
Hydrochloric Acid SCHEMBL7824070 0.90 MAOA (0.69) MAOAHTR2ATAAR1MAOBHDAC2
Putrescine SCHEMBL27220945 0.89 HTR2A (0.65) MAOAHTR2ATAAR1CYP2A6SMN1; SMN2
SCHEMBL172790 0.86 TAAR1 (0.71) HTR2ATAAR1CYP2A6SMN1; SMN2LOXL2
SCHEMBL52482 0.85 MAOA (0.85) MAOAHTR2ATAAR1CYP2A6SMN1; SMN2
SCHEMBL30869989 0.85 HDAC2 (0.60) MAOAHTR2ATAAR1MAOBFFAR1
Benzene SCHEMBL28170833 0.85 MAOA (0.85) MAOAHTR2ATAAR1CYP2A6SMN1; SMN2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583818-B2 Compound, preparation method thereof, and use thereof DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2026-03-24 US disclosed
CN-114981241-B Novel compounds, process for their preparation and their use 大邱庆北尖端医疗产业振兴财团 2024-11-19 CN disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
EP-4065553-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2022-10-05 EP disclosed
CN-114981241-A Novel compound, preparation method and application thereof 大邱庆北尖端医疗产业振兴财团 2022-08-30 CN disclosed
WO-2021145729-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-07-22 WO disclosed
WO-2021145729-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-07-22 WO disclosed
CN-105142673-B Novel cyclohexyl and quininuclidinyl carbamate derivatives with beta 2-adrenergic activator and M3 muscarinic antagonists activity 阿尔米雷尔有限公司 2018-01-05 CN disclosed
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
WO-2015089137-A1 ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-06-18 WO disclosed
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 2013-07-25 US disclosed
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 WO disclosed
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 CN disclosed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 CN disclosed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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 (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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP MAOA 3100/4885HTR2A 4739/4885TAAR1 4682/4885
US-12583818-B2 Compound, preparation method thereof, and use thereof TYRO3, TH, SRMS MAOA 239/4885HTR2A 532/4885TAAR1 78/4885
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF TYR, TYRO3, TH MAOA 140/4885HTR2A 1526/4885TAAR1 386/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MAOA 2249/4885HTR2A 1489/4885TAAR1 3783/4885
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES CASR, CALCR, ORAI1 MAOA 4636/4885HTR2A 2770/4885TAAR1 938/4885

“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.