Sugi Predict

Sugi Predict / Compounds / SCHEMBL3478093

SCHEMBL3478093

SCHEMBL3478093

NCCc1c[nH]c2cccc(Br)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.68
▸ HTR2C P28335 4/20 0.66
▸ TAAR1 Q96RJ0 2/20 0.54
▸ CYP2A6 P11509 2/20 0.54
▸ HTR1D P28221 2/20 0.54
▸ MPO P05164 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ HTR1B P28222 1/20 0.54
▸ HTR7 P34969 1/20 0.54
▸ CTSK P43235 1/20 0.54
▸ HTR6 P50406 1/20 0.54
▸ CYP2A13 Q16696 1/20 0.54
▸ PMP22 Q01453 1/20 0.53
▸ TRPM8 Q7Z2W7 1/20 0.49
▸ SLC6A2 P23975 1/20 0.47
▸ GPR84 Q9NQS5 3/20 0.46
▸ FFAR1 O14842 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
SCHEMBL4229463 0.83 HTR2C (0.49) HTR2AHTR2CCYP2A6HTR1DHTR1B
SCHEMBL1971620 0.81 HTR2A (1.00) HTR2AHTR2CTAAR1CYP2A6HTR1D
SCHEMBL26185612 0.81 HTR2A (0.70) HTR2AHTR2CTAAR1CYP2A6HTR1D
SCHEMBL2533008 0.79 GPR84 (0.69) HTR2AHTR2CTAAR1CYP2A6HTR1D
SCHEMBL1459770 0.79 HTR2C (1.00) HTR2AHTR2CTAAR1CYP2A6HTR1D
SCHEMBL4838821 0.79 GPR84 (0.69) HTR2AHTR2CTAAR1CYP2A6HTR1D
SCHEMBL7855437 0.79 HTR2A (0.54) HTR2AHTR2CTAAR1CYP2A6HTR1D
Hydrochloric Acid SCHEMBL21546052 0.79 HTR2A (0.97) HTR2AHTR2CTAAR1CYP2A6HTR1D
SCHEMBL29364085 0.79 HTR2C (1.00) HTR2AHTR2CTAAR1CYP2A6HTR1D
SCHEMBL30936114 0.79 HTR2A (0.68) HTR2AHTR2CTAAR1HTR1DHTR1B

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
CN-115850269-A Tetrahydro-beta-carboline compound and preparation method and application thereof 南京工业大学 2023-03-28 — — CN claimed
CN-121735959-A Synthesis process of ergot alkaloid Aurantioclavine 大理大学 2026-03-27 — — CN disclosed
US-20250354108-A1 METHODS FOR PRODUCING MONOTERPENE INDOLE ALKALOIDS UNIV DANMARKS TEKNISKE (DK) 2025-11-20 — — US disclosed
EP-4526426-A2 METHODS FOR PRODUCING MONOTERPENE INDOLE ALKALOIDS Danmarks Tekniske Universitet (DK) 2025-03-26 — — EP disclosed
WO-2023222879-A2 METHODS FOR PRODUCING MONOTERPENE INDOLE ALKALOIDS DANMARKS TEKNISKE UNIVERSITET (DK) 2023-11-23 — — WO disclosed
US-20230357744-A1 ENGINEERED TRYPTOPHAN DECARBOXYLASES AND USES THEREOF FOR SYNTHESIZING TRYPTAMINE ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-09 — — US disclosed
CN-115850269-A Tetrahydro-beta-carboline compound and preparation method and application thereof 南京工业大学 2023-03-28 — — CN disclosed
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2017-07-20 — — US disclosed
US-9650378-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2017-05-16 — — US disclosed
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES HARMONY BIOSCIENCES, LLC 2016-06-09 — — US disclosed
US-9296743-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2016-03-29 — — US disclosed
EP-2476680-B1 (1-Azinone)-Substituted Pyridoindoles ALBANY MOLECULAR RES INC (US) 2014-08-27 — — EP disclosed
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-24 — — US disclosed
US-8716308-B2 (1-azinone)-substituted pyridoindoles ALBANY MOLECULAR RESEARCH, INC. (US) 2014-05-06 — — US disclosed
EP-2476680-A1 (1-Azinone)-Substituted Pyridoindoles Albany Molecular Research, Inc. (US) 2012-07-18 — — EP disclosed
US-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-30 — — US disclosed
EP-2240481-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS Albany Molecular Research, Inc. (US) 2010-10-20 — — EP disclosed
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-11-05 — — US disclosed
WO-2009089482-A1 (1-AZINONE) -SUBSTITUTED PYRIDOINDOLES AS MCH ANTAGONISTS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-07-16 — — 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-20100331339-A9 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 HTR2A 1612/4885HTR2C 780/4885TAAR1 97/4885
US-20170204095-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 HTR2A 1688/4885HTR2C 825/4885TAAR1 117/4885
US-20090275590-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR0B1, NR3C1 HTR2A 1612/4885HTR2C 780/4885TAAR1 97/4885
US-20140206696-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 HTR2A 1688/4885HTR2C 825/4885TAAR1 117/4885
US-20250354108-A1 METHODS FOR PRODUCING MONOTERPENE INDOLE ALKALOIDS INMT, KARS1, MIA3 HTR2A 2339/4885HTR2C 2595/4885TAAR1 748/4885
US-20160159798-A1 (1-AZINONE)-SUBSTITUTED PYRIDOINDOLES NR3C2, NR2E3, NR0B1 HTR2A 1688/4885HTR2C 825/4885TAAR1 117/4885

“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.