SCHEMBL504867

SCHEMBL504867

N#Cc1cc(Br)cc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
KHK P50053 1/20 0.33
GPR35 Q9HC97 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL29560065 1.00 TRPV4 (0.39) TRPV4CYP11B1CYP11B2MAOBMAOA
SCHEMBL16098127 0.88 TRPV4 (0.38) TRPV4CYP11B1CYP11B2MAOBMAOA
SCHEMBL16581287 0.82 GPR35 (0.41) TRPV4CYP11B1CYP11B2MAOBMAOA
SCHEMBL3230060 0.78 ADRB2 (0.42) TRPV4CYP11B1CYP11B2MAOBMAOA
SCHEMBL22119985 0.78 KHK (0.39) TRPV4CYP11B1CYP11B2MAOBMAOA
SCHEMBL25190108 0.78 CYP11B1 (0.37) TRPV4CYP11B1CYP11B2MAOBMAOA
SCHEMBL30881823 0.78 ESR1 (0.37) TRPV4CYP11B1CYP11B2MAOBMAOA
SCHEMBL18130719 0.78 CYP11B1 (0.37) TRPV4CYP11B1CYP11B2MAOBMAOA
SCHEMBL14321234 0.78 TSHR (0.35) TRPV4CYP11B1CYP11B2MAOBMAOA
SCHEMBL30673306 0.78 ESR1 (0.39) TRPV4CYP11B1CYP11B2MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745974-A Chiral near ultraviolet organic electroluminescent material, preparation method thereof and application thereof in CP-OLED 华南理工大学 2023-03-07 CN claimed
US-20260132124-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2026-05-14 US disclosed
US-12545664-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2026-02-10 US disclosed
US-12486449-B2 Organic molecules for use in organic optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2025-12-02 US disclosed
US-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-25 US disclosed
US-20250042853-A1 BICYCLIC COMPOUND AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2025-02-06 US disclosed
EP-4428125-A1 BICYCLIC COMPOUND AND APPLICATION THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2024-09-11 EP disclosed
CN-118119601-A Bicyclic compounds and uses thereof 贝达药业股份有限公司 2024-05-31 CN disclosed
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-03-07 US disclosed
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-01-04 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 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 (10 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-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 TRPV4 3413/4885CYP11B1 778/4885CYP11B2 841/4885
US-12545664-B2 Composition of matter for use in organic light-emitting diodes OPRD1, NR1H2, NR1H3 TRPV4 2992/4885CYP11B1 285/4885CYP11B2 329/4885
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 TRPV4 980/4885CYP11B1 2064/4885CYP11B2 1952/4885
US-12486449-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, OCIAD2 TRPV4 413/4885CYP11B1 657/4885CYP11B2 283/4885
US-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 TRPV4 4695/4885CYP11B1 3178/4885CYP11B2 2079/4885
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 TRPV4 3413/4885CYP11B1 778/4885CYP11B2 841/4885
US-20260132124-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES OPRD1, NR1H2, NR1H3 TRPV4 3077/4885CYP11B1 268/4885CYP11B2 322/4885
US-20250042853-A1 BICYCLIC COMPOUND AND APPLICATION THEREOF CYP11B2, CYP11B1, CYP17A1 TRPV4 1257/4885CYP11B1 2/4885CYP11B2 1/4885
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 TRPV4 3413/4885CYP11B1 778/4885CYP11B2 841/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 TRPV4 4695/4885CYP11B1 3178/4885CYP11B2 2079/4885

“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.