SCHEMBL13453039

SCHEMBL13453039

Cc1ccc2c(c1)CN(CCO)CC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 3/20 0.46
POLB P06746 1/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
SIGMAR1 Q99720 2/20 0.45
PRMT5 O14744 1/20 0.44
USP2 O75604 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL20883859 0.94 MEN1 (0.47) MEN1KMT2AGAAATMPOLB
SCHEMBL15756197 0.82 KMT2A (0.55) MEN1KMT2AGAADRD2DRD3
SCHEMBL6369524 0.81 HRH3 (0.51) MEN1KMT2AGAAATMPOLB
SCHEMBL20890474 0.81 DRD2 (0.47) MEN1KMT2AGAADRD2DRD3
SCHEMBL14348644 0.81 SIGMAR1 (0.45) MEN1KMT2AGAAATMPOLB
SCHEMBL1948812 0.81 NR1H2 (0.45) DRD2DRD3SIGMAR1KDM4E
SCHEMBL22549192 0.80 MEN1 (0.44) MEN1KMT2AGAAATMPOLB
SCHEMBL20889847 0.80 DRD2 (0.52) MEN1KMT2AGAAATMPOLB
SCHEMBL20910014 0.80 ALDH1A1 (0.44) MEN1KMT2AATMPOLBDRD2
Hydrochloric Acid SCHEMBL7509547 0.79 NR1H2 (0.44) DRD2DRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
WO-2021030620-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-02-18 WO disclosed
WO-2020210380-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-10-15 WO disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
EP-1966191-B1 SUBSTITUTED PYRAZINONE DERIVATIVES AS ALPHA2C-ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-03-17 EP disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 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 (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-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ADRA2C, ADRB2, ADRA2A MEN1 4325/4885KMT2A 1686/4885GAA 2584/4885

“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.