SCHEMBL237142

SCHEMBL237142

NCCCc1cccc(Br)c1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.77
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
MAOA P21397 1/20 0.48
CYP2A6 P11509 1/20 0.46
MAOB P27338 1/20 0.44
HTR6 P50406 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
Hydrochloric Acid SCHEMBL5234157 0.98 TAAR1 (0.74) TAAR1IDO1AGXTMAOACYP2A6
SCHEMBL6183551 0.94 TAAR1 (0.74) TAAR1IDO1AGXTMAOAMAOB
SCHEMBL552962 0.92 TAAR1 (0.71) TAAR1IDO1AGXTMAOASIGMAR1
SCHEMBL235748 0.87 TAAR1 (1.00) TAAR1IDO1AGXTCYP2A6MAOB
SCHEMBL5240585 0.87 TAAR1 (0.68) TAAR1IDO1AGXTMAOBSIGMAR1
Iodide SCHEMBL30914652 0.85 TAAR1 (0.96) TAAR1IDO1AGXTCYP2A6MAOB
Hydrochloric Acid SCHEMBL5214116 0.85 TAAR1 (0.96) TAAR1IDO1AGXTCYP2A6MAOB
SCHEMBL19524669 0.85 TAAR1 (0.65) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL422194 0.84 MAOA (0.58) TAAR1MAOACYP2A6HTR6
SCHEMBL2157943 0.84 TAAR1 (0.66) TAAR1IDO1AGXTMAOBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113512029-A Preparation and application of substituted pyrazole compound containing pyrimidinamine 沈阳中化农药化工研发有限公司 2021-10-19 CN claimed
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 US disclosed
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS SERVIER LAB (FR) 2026-01-01 US disclosed
US-12304907-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-05-20 US disclosed
EP-4551566-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2025-05-14 EP disclosed
US-12264154-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-04-01 US disclosed
US-20240279219-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-08-22 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 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
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 US disclosed
EP-1781297-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP 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
WO-2006018326-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 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 (8 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD TAAR1 646/4885IDO1 846/4885AGXT 2567/4885
US-20070249682-A1 Novel CD40:CD154 binding interruptor compounds and use thereof to treat immunological complications CD40, CD40LG, TNFSF11 TAAR1 4186/4885IDO1 659/4885AGXT 4392/4885
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BCL2A1, BAX TAAR1 4007/4885IDO1 4559/4885AGXT 3852/4885
US-20240279219-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 TAAR1 555/4885IDO1 3159/4885AGXT 1773/4885
US-12264154-B2 Compounds and methods of use F12, C1R, ABCG2 TAAR1 555/4885IDO1 3159/4885AGXT 1773/4885
US-12304907-B2 Compounds and methods of use F12, C1R, ABCG2 TAAR1 555/4885IDO1 3159/4885AGXT 1773/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 TAAR1 555/4885IDO1 3159/4885AGXT 1773/4885
US-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 TAAR1 295/4885IDO1 3008/4885AGXT 3001/4885

“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.