SCHEMBL4216615

SCHEMBL4216615

O=[N+]([O-])/C=C/c1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.56
▸ IMPDH2 P12268 1/20 0.56
▸ RXRA P19793 1/20 0.54
▸ KMT2A Q03164 7/20 0.51
▸ MAPT P10636 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ HPGD P15428 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ GAA P10253 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ CYP1A2 P05177 3/20 0.49
▸ CYP2D6 P10635 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49

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
SCHEMBL30412249 1.00 CYP2A6 (0.56) CYP2A6IMPDH2RXRAKMT2AMAPT
SCHEMBL30345109 1.00 CYP2A6 (0.56) CYP2A6IMPDH2RXRAKMT2AMAPT
SCHEMBL4072087 1.00 CYP2A6 (0.56) CYP2A6IMPDH2RXRAKMT2AMAPT
Tryptamine SCHEMBL4977403 0.84 PMP22 (0.62) CYP2A6IMPDH2KMT2AMAPTALDH1A1
Tryptamine SCHEMBL4977400 0.84 PMP22 (0.62) CYP2A6IMPDH2KMT2AMAPTALDH1A1
SCHEMBL5147034 0.81 NR4A2 (0.44) CYP2A6IMPDH2RXRAKMT2AMAPT
SCHEMBL2537810 0.81 IMPDH2 (0.44) CYP2A6IMPDH2RXRAKMT2AMAPT
SCHEMBL2537812 0.81 IMPDH2 (0.44) CYP2A6IMPDH2RXRAKMT2AMAPT
SCHEMBL5147033 0.81 NR4A2 (0.44) CYP2A6IMPDH2RXRAKMT2AMAPT
SCHEMBL10489040 0.80 CYP2A6 (0.69) CYP2A6IMPDH2KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680236-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS ATAI Therapeutics, Inc. (US) 2026-01-21 — — EP disclosed
WO-2024192150-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS Atai Therapeutics Inc. (US) 2024-09-19 — — WO disclosed
US-11780807-B2 Benzoselenophene, benzothiophene, and benzofuran analogs and methods of modulating the serotonin 5-HT2C receptor Kuleon, LLC (US) 2023-10-10 — — US disclosed
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR Kuleon, LLC (US) 2023-08-17 — — US disclosed
CN-110191885-B Alkoxy bis-heteroaryl derivatives as modulators of protein aggregation UCB生物制药私人有限公司 2023-05-16 — — CN disclosed
EP-3573981-B1 ALKOXY BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB Biopharma SRL (BE) 2022-03-16 — — EP disclosed
US-11091474-B2 Alkoxy bis-heteroaryl derivatives as modulators of protein aggregation UCB Biopharma SRL (BE) 2021-08-17 — — US disclosed
US-20200291013-A1 ALKOXY BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION UCB BIOPHARMA SPRL (BE) 2020-09-17 — — US disclosed
CN-106986859-B Indole derivatives and uses thereof 广东东阳光药业有限公司 2020-02-11 — — CN disclosed
CN-109535140-A A method of double indoles substituted-dihydro pyrrolones derivatives are constructed based on oxime ester and indoles 常州大学 2019-03-29 — — CN disclosed
US-8044090-B2 N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor ELI LILLY (US) 2011-10-25 — — US disclosed
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2009-12-10 — — US disclosed
US-20090028796-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2009-01-29 — — US disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 — — US disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 — — US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 — — US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 — — US disclosed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 — — EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 — — US disclosed
US-5436264-A Adrenergic blocking agents for vasoconstriction and hypotensive agents SYNTEX (U.S.A.) INC. (US) 1995-07-25 — — 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 (7 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-20090028796-A1 PESTICIDAL COMPOSITION COMPRISING INDOLE DERIVATES IDO1, IDO2, INMT CYP2A6 3550/4885IMPDH2 316/4885RXRA 4858/4885
US-20200291013-A1 ALKOXY BIS-HETEROARYL DERIVATIVES AS MODULATORS OF PROTEIN AGGREGATION PARK7, HTT, SNCA CYP2A6 4843/4885IMPDH2 4710/4885RXRA 2316/4885
US-20090306110-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B CYP2A6 202/4885IMPDH2 1292/4885RXRA 4572/4885
US-11780807-B2 Benzoselenophene, benzothiophene, and benzofuran analogs and methods of modulating the serotonin 5-HT2C receptor HTR2C, HTR2A, HTR3C CYP2A6 936/4885IMPDH2 2723/4885RXRA 3449/4885
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR HTR2C, HTR2A, HTR3B CYP2A6 813/4885IMPDH2 2723/4885RXRA 2928/4885
US-11091474-B2 Alkoxy bis-heteroaryl derivatives as modulators of protein aggregation PARK7, HTT, SNCA CYP2A6 4843/4885IMPDH2 4710/4885RXRA 2316/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B CYP2A6 202/4885IMPDH2 1292/4885RXRA 4572/4885

“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.

Send feedback