SCHEMBL898226

SCHEMBL898226

COc1ccc(Br)c(CC#N)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.40
SLC6A4 P31645 8/20 0.40
PKM P14618 1/20 0.39
IDO1 P14902 2/20 0.39
ADRA1A P35348 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ERBB2 P04626 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
SCHEMBL31099061 1.00 HTR1A (0.40) HTR1ASLC6A4PKMIDO1ADRA1A
SCHEMBL29175430 0.87 APLNR (0.41) PKMIDO1ADRA1ATAAR1HTR2A
SCHEMBL11474043 0.83 APLNR (0.43) SLC6A4PKMIDO1ADRA1ATAAR1
SCHEMBL1458122 0.83 ALDH1A1 (0.42) HTR1ASLC6A4ADRA1ATAAR1HTR2A
SCHEMBL30861233 0.80 IDO1 (0.56) IDO1ADRA1ATAAR1HTR2A
SCHEMBL16480388 0.80 HSD17B10 (0.41) PKMIDO1ADRA1ATAAR1HTR2A
SCHEMBL11825653 0.80 IDO1 (0.56) IDO1ADRA1ATAAR1HTR2A
SCHEMBL15989500 0.79 ALDH1A1 (0.39) PKMIDO1ADRA1ATAAR1ALDH1A1
SCHEMBL7551792 0.79 ADRA1A (0.48) HTR1ASLC6A4IDO1ADRA1ATAAR1
SCHEMBL622035 0.79 CHRM2 (0.47) PKMIDO1ADRA1ATAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025125688-A2 NOVEL COMPOUNDS FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2025-06-19 WO disclosed
US-20250120980-A1 DIBENZODIAZEPINE COMPOUNDS AND USE IN INTERFERON ACTIVATOR PROTEIN AGONISTS THEREOF HEBEI GRANDIOS PHARMA CO, LTD. (CN) 2025-04-17 US disclosed
WO-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 WO disclosed
CN-117402116-A Process for the preparation of dibenzoazepine compounds and their use as interferon activator protein agonists 河北中科金辉药业有限公司 2024-01-16 CN disclosed
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 WO disclosed
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 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 (4 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 HTR1A 1604/4885SLC6A4 156/4885PKM 2994/4885
US-20250120980-A1 DIBENZODIAZEPINE COMPOUNDS AND USE IN INTERFERON ACTIVATOR PROTEIN AGONISTS THEREOF STING1, IRF3, IFNAR1 HTR1A 323/4885SLC6A4 1171/4885PKM 3369/4885
US-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 HTR1A 189/4885SLC6A4 879/4885PKM 1104/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 HTR1A 1604/4885SLC6A4 156/4885PKM 2994/4885

“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.