SCHEMBL1561740

SCHEMBL1561740

COc1cc2c(cc1Br)CCC2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.51
▸ HTR2C P28335 4/20 0.51
▸ HTR2B P41595 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ S100A4 P26447 1/20 0.44
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43

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
SCHEMBL30759612 0.93 HTR2A (0.51) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL2306816 0.93 HTR2A (0.51) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL28633834 0.89 HSD17B1 (0.50) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL29420326 0.86 KMT2A (0.56) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL354177 0.86 KMT2A (0.56) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL29420327 0.86 KMT2A (0.56) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL27029704 0.83 HTR2A (0.43) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL30701777 0.83 HTR2A (0.43) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL24362699 0.82 HTR2A (0.49) HTR2AHTR2CHTR2BKDM4EGRIN2D
SCHEMBL14052726 0.82 HSD17B1 (0.50) HTR2AHTR2CHTR2BKDM4EGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12522602-B2 Derivatives having 2,3-dihydro-1H-indene or 2,3-dihydrobenzofuran moiety or pharmaceutically acceptable salt thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2026-01-13 — — US disclosed
EP-4389744-B1 DERIVATIVES HAVING 2,3-DIHYDRO-1H-INDENE OR 2,3-DIHYDROBENZOFURAN MOIETY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2025-12-03 — — EP disclosed
CN-119948034-A Novel peptide-based nitrile compound and application thereof 上海壹迪生物技术有限公司 2025-05-06 — — CN disclosed
CN-118955495-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-11-15 — — CN disclosed
CN-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 — — CN disclosed
EP-4389744-A1 DERIVATIVES HAVING 2,3-DIHYDRO-1H-INDENE OR 2,3-DIHYDROBENZOFURAN MOIETY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2024-06-26 — — EP disclosed
EP-4041733-B1 DERIVATIVES HAVING 2,3-DIHYDRO-1H-INDENE OR 2,3-DIHYDROBENZOFURAN MOIETY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-05-08 — — EP disclosed
WO-2024088307-A1 NOVEL PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹迪生物技术有限公司 2024-05-02 — — WO disclosed
EP-4227304-A2 THIADIAZOLE ANALOGS AND THEIR USE FOR TREATING DISEASES ASSOCIATED WITH A DEFICIENCY OF SMN MOTOR NEURONS Novartis AG (CH) 2023-08-16 — — EP disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 — — US disclosed
US-6964965-B2 Substituted pyrazine derivatives PHARMACIA & UPJOHN (US) 2005-11-15 — — US disclosed
EP-1583738-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GmbH (DE) 2005-10-12 — — EP disclosed
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 — — EP disclosed
WO-2004063148-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2004-07-29 — — WO disclosed
US-20040053941-A1 Substituted pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2004-03-18 — — US disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 — — WO disclosed
EP-0848699-B1 BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-10-24 — — EP disclosed
US-5922771-A MELATONIN RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-13 — — US disclosed
EP-0848699-A1 BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-06-24 — — EP disclosed
WO-1997005098-A1 BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-02-13 — — 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 (2 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-20040053941-A1 Substituted pyrazine derivatives CRHR1, CRHR2, CRH HTR2A 32/4885HTR2C 19/4885HTR2B 49/4885
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL HTR2A 2195/4885HTR2C 1800/4885HTR2B 1429/4885

“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.

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