SCHEMBL7052511

SCHEMBL7052511

c1ccc2[nH]c(CN3CCCC3)cc2c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.74
HRH3 Q9Y5N1 2/20 0.71
DRD2 P14416 7/20 0.56
DRD3 P35462 7/20 0.56
LOXL2 Q9Y4K0 1/20 0.53
CHRNA7 P36544 2/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.50
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 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
SCHEMBL30813284 1.00 HRH4 (0.74) HRH4HRH3DRD2DRD3LOXL2
SCHEMBL4896453 0.98 HRH4 (0.72) HRH4HRH3DRD2DRD3LOXL2
SCHEMBL31010169 0.98 HRH4 (0.72) HRH4HRH3DRD2DRD3LOXL2
SCHEMBL5442333 0.87 HRH4 (0.70) HRH4HRH3DRD2DRD3LOXL2
SCHEMBL29744181 0.87 HRH4 (0.70) HRH4HRH3DRD2DRD3LOXL2
SCHEMBL8681808 0.85 HRH4 (0.73) HRH4HRH3DRD2DRD3
SCHEMBL13499601 0.85 HRH4 (1.00) HRH4HRH3DRD2DRD3CHRNA7
SCHEMBL31061131 0.83 HRH3 (1.00) HRH4HRH3DRD2DRD3LOXL2
SCHEMBL23964155 0.83 HRH4 (0.78) HRH4HRH3DRD2DRD3CHRNA7
SCHEMBL8682915 0.83 HRH4 (0.69) HRH4HRH3DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12281099-B2 Isoindolinone substituted indoles and derivatives as RAS inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-04-22 US disclosed
EP-3931188-B1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-30 EP disclosed
EP-3931188-B1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-30 EP disclosed
US-20220144810-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-12 US disclosed
US-20220144810-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-12 US disclosed
CN-113474340-A Novel isoindolinone substituted indoles and derivatives as RAS inhibitors 勃林格殷格翰国际有限公司 2021-10-01 CN disclosed
US-6818639-B2 COMBINATION OF A 5-HT2C RECEPTOR AGONIST AND A 5-HT6 RECEPTOR ANTAGONIST, OR A SALT, ENANTIOMER OR PRODRUG FORM BIOVITRUM AB (SE) 2004-11-16 US disclosed
EP-1301476-A1 NEW COMBINATION OF SEROTONIN AGONIST (5HT2) AND ANTAGONIST (5HT6)AS PHARMACEUTICAL FORMULATION BIOVITRUM AB (SE) 2003-04-16 EP disclosed
US-20020068732-A1 Pharmaceutical combination formulation and method of treatment with the combination PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-06-06 US disclosed
WO-2002008178-A1 NEW COMBINATION OF SEROTONIN AGONIST (5HT2) AND ANTAGONIST (5HT6)AS PHARMACEUTICAL FORMULATION BIOVITRUM AB (SE) 2002-01-31 WO disclosed
WO-2000037074-A1 MUTILIN 14-ESTER DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-06-29 WO disclosed
EP-0695301-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-02-07 EP 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 (3 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-12281099-B2 Isoindolinone substituted indoles and derivatives as RAS inhibitors NRAS, KRAS, RASSF5 HRH4 1330/4885HRH3 1753/4885DRD2 1253/4885
US-20220144810-A1 NEW ISOINDOLINONE SUBSTITUTED INDOLES AND DERIVATIVES AS RAS INHIBITORS NRAS, RASSF5, KRAS HRH4 1268/4885HRH3 1816/4885DRD2 1107/4885
US-20020068732-A1 Pharmaceutical combination formulation and method of treatment with the combination HTR6, HTR5A, HTR2C HRH4 98/4885HRH3 250/4885DRD2 119/4885

“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.