SCHEMBL2402249

SCHEMBL2402249

CNC(C)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.50
HTR2A P28223 4/20 0.50
ESR1 P03372 1/20 0.48
ADRB2 P07550 1/20 0.42
CYP2D6 P10635 2/20 0.41
KCNH2 Q12809 3/20 0.41
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41
SOS1 Q07889 1/20 0.38
ACP3 P15309 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP3A4 P08684 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
SLC18A2 Q05940 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL8649226 0.83 ESR1 (0.50) SLC6A4HTR2AESR1ADRB2TSHR
SCHEMBL8286108 0.82 HTR2A (0.43) SLC6A4HTR2AESR1CYP2D6KCNH2
SCHEMBL15247632 0.81 ESR1 (0.48) SLC6A4HTR2AESR1ADRB2TSHR
SCHEMBL6114378 0.79 ESR1 (0.46) SLC6A4ESR1ADRB2TSHRACHE
SCHEMBL28879943 0.79 ESR1 (0.46) SLC6A4ESR1ADRB2TSHRACHE
SCHEMBL22025567 0.79 CYP1A2 (0.52) SLC6A4HTR2ACYP2D6KCNH2ALDH1A1
SCHEMBL24017153 0.78 ESR1 (0.50) SLC6A4HTR2AESR1CYP2D6KCNH2
SCHEMBL24016994 0.78 ESR1 (0.50) SLC6A4HTR2AESR1CYP2D6KCNH2
SCHEMBL25509348 0.77 ESR1 (0.45) SLC6A4HTR2AESR1ADRB2CYP2D6
SCHEMBL19820327 0.77 SLC6A4 (0.40) SLC6A4HTR2AESR1CYP2D6KCNH2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441704-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2025-10-14 US disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US disclosed
US-20210188807-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS ALMIRALL, S.A. (ES) 2021-06-24 US disclosed
CN-110831919-A Epoxy methacrylate compound and use thereof 喜利得股份公司 2020-02-21 CN disclosed
US-8835427-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-09-16 US disclosed
EP-2358709-B1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DU PONT (US) 2014-01-22 EP disclosed
US-8618137-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2013-12-31 US disclosed
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
US-20110224258-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2011-09-15 US disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed
EP-1339670-A1 SUBSTITUTED CYCLOHEXANE DERIVATES AND THE USE THEREOF IN MEDICAMENTS FOR TREATING CARDIOVASCULAR DISEASES Bayer Aktiengesellschaft (DE) 2003-09-03 EP disclosed
WO-2002042257-A1 SUBSTITUTED CYCLOHEXANE DERIVATES AND THE USE THEREOF IN MEDICAMENTS FOR TREATING CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2002-05-30 WO disclosed
US-4465509-A Urea compounds and herbicidal compositions containing them THE JAPAN CARLIT CO., LTD. (JP) 1984-08-14 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 (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-11685727-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 SLC6A4 4193/4885HTR2A 1544/4885ESR1 46/4885
US-20110224258-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS NOX1, XDH, CBR1 SLC6A4 3721/4885HTR2A 3556/4885ESR1 3154/4885
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 SLC6A4 4193/4885HTR2A 1544/4885ESR1 46/4885
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 SLC6A4 3548/4885HTR2A 3531/4885ESR1 1934/4885
US-12441704-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 SLC6A4 4193/4885HTR2A 1544/4885ESR1 46/4885
US-20210188807-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 SLC6A4 4193/4885HTR2A 1544/4885ESR1 46/4885

“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.