SCHEMBL1789178

SCHEMBL1789178

O=C1c2ccccc2NC12CCNCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 2/20 0.41
PDE7A Q13946 1/20 0.40
ACAT2 Q9BWD1 3/20 0.40
BACE1 P56817 1/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 6/20 0.38
OPRM1 P35372 1/20 0.37
PDGFRA P16234 1/20 0.37
FER P16591 1/20 0.37
LTK P29376 1/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37
LRRK2 Q5S007 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
DRD2 P14416 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL29604423 1.00 MAOA (0.41) MAOAMAOBKDM4EHPGDPDE7A
SCHEMBL11536434 0.89 MAOA (0.47) MAOAMAOBKDM4EHPGDPDE7A
SCHEMBL16163017 0.85 PDE7A (0.54) MAOAMAOBKDM4EHPGDPDE7A
SCHEMBL26251985 0.78 KDM4E (0.60) MAOAMAOBKDM4EHPGDGLA
SCHEMBL30552386 0.76 BACE1 (0.47) MAOAMAOBPDE7AACAT2BACE1
SCHEMBL21383782 0.74 CRBN (0.45) KDM4EHPGDGLAALDH1A1HSD17B10
SCHEMBL29603792 0.74 CRBN (0.45) KDM4EHPGDGLAALDH1A1HSD17B10
SCHEMBL551956 0.74 KDM4E (0.63) MAOAMAOBKDM4EHPGDBACE1
SCHEMBL29468000 0.72 ALDH1A1 (0.41) MAOAMAOBKDM4EHPGDBACE1
SCHEMBL22116305 0.72 ALDH1A1 (0.41) MAOAMAOBKDM4EHPGDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472963-A1 DGK TARGETING COMPOUNDS AND USES THEREOF Arvinas Operations, Inc. (US) 2024-12-11 EP disclosed
CN-117263942-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-12-22 CN disclosed
CN-112166110-B SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-08-11 CN disclosed
WO-2023150186-A1 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2023-08-10 WO disclosed
WO-2023150186-A1 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2023-08-10 WO disclosed
CN-112166110-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2021-01-01 CN disclosed
US-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-2120935-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008103126-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2008-08-28 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 (1 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-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma GRK5, ADRB2, GRK2 MAOA 1508/4885MAOB 1921/4885KDM4E 2432/4885

“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.