SCHEMBL1458748

SCHEMBL1458748

NCCCc1ccccc1Br

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.75
IDO1 P14902 2/20 0.48
MAOA P21397 1/20 0.41
GPR52 Q9Y2T5 1/20 0.39
HTR2A P28223 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL29423333 0.86 TAAR1 (1.00) TAAR1IDO1GPR52HTR2A
SCHEMBL265615 0.86 TAAR1 (1.00) TAAR1IDO1GPR52HTR2A
Iodide SCHEMBL28685278 0.84 TAAR1 (0.95) TAAR1IDO1GPR52HTR2A
Bromide SCHEMBL31622102 0.84 TAAR1 (0.95) TAAR1IDO1GPR52HTR2A
Hydrochloric Acid SCHEMBL533785 0.84 TAAR1 (0.95) TAAR1IDO1GPR52HTR2A
SCHEMBL29943451 0.83 TAAR1 (0.50) TAAR1MAOAHTR2A
SCHEMBL3678681 0.83 TAAR1 (0.50) TAAR1MAOAHTR2A
SCHEMBL4011586 0.82 TAAR1 (0.61) TAAR1IDO1GPR52TSHR
SCHEMBL31627173 0.81 TAAR1 (0.60) TAAR1IDO1MAOA
SCHEMBL9175222 0.80 TAAR1 (0.59) TAAR1IDO1GPR52TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260144795-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS H. LUNDBECK A/S (DK) 2026-05-28 US disclosed
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2022-10-04 US disclosed
CN-112724084-B Preparation method of (S) -5-bromo-1, 2,3, 4-tetrahydro-N-Boc-isoquinoline-1-carboxylic acid 上海彩迩文生化科技有限公司 2022-04-22 CN disclosed
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC (US) 2021-07-01 US disclosed
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC (US) 2021-07-01 US disclosed
CN-112724084-A Preparation method of (S) -5-bromo-1, 2,3, 4-tetrahydro-N-Boc-isoquinoline-1-carboxylic acid 南京艾普特生物医药有限公司 2021-04-30 CN disclosed
CN-109111383-B 2-substituted diphenyl sulfide derivative and use thereof 广东东阳光药业有限公司 2020-11-24 CN disclosed
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2020-09-22 US disclosed
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2020-09-22 US disclosed
CN-109111383-A The diphenyl sulfide derivative and application thereof that 2- replaces 广东东阳光药业有限公司 2019-01-01 CN disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
WO-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 WO disclosed
US-20070249682-A1 Novel CD40:CD154 binding interruptor compounds and use thereof to treat immunological complications ZHENG ZHONGLI 2007-10-25 US disclosed
US-20070249682-A1 Novel CD40:CD154 binding interruptor compounds and use thereof to treat immunological complications ZHENG ZHONGLI 2007-10-25 US disclosed
CN-101039907-A Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2007-09-19 CN disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
US-7173046-B2 CD40:CD154 binding interrupter compounds and use thereof to treat immunological complications BIOGEN, INC. (US) 2007-02-06 US disclosed
US-7173046-B2 CD40:CD154 binding interrupter compounds and use thereof to treat immunological complications BIOGEN, INC. (US) 2007-02-06 US disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 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-20260144795-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS HCRTR2, HCRTR1, CRHR1 TAAR1 61/4885IDO1 1291/4885MAOA 452/4885
US-20070249682-A1 Novel CD40:CD154 binding interruptor compounds and use thereof to treat immunological complications CD40, CD40LG, TNFSF11 TAAR1 4186/4885IDO1 659/4885MAOA 4428/4885
US-11459307-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 TAAR1 4451/4885IDO1 4379/4885MAOA 1508/4885
US-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 TAAR1 4451/4885IDO1 4379/4885MAOA 1508/4885
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 TAAR1 286/4885IDO1 1586/4885MAOA 4014/4885
US-10781185-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, PANK2 TAAR1 4451/4885IDO1 4379/4885MAOA 1508/4885

“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.