SCHEMBL7597435

SCHEMBL7597435

Nc1cccc2c1CCc1ccccc1C2CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
RET P07949 1/20 0.45
GID4 Q8IVV7 1/20 0.40
SLC6A3 Q01959 4/20 0.39
HTR2C P28335 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
EGFR P00533 1/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH1 P35367 2/20 0.36
ACP3 P15309 1/20 0.36
ADRA2A P08913 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC6A2 P23975 3/20 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
SCHEMBL1389876 0.85 HTR2A (0.55) HTR2ARETSLC6A3HTR2CEGFR
Hydrochloric Acid SCHEMBL10743675 0.83 HTR2A (0.53) HTR2ARETSLC6A3HTR2CEGFR
SCHEMBL10962986 0.83 HTR2A (0.41) HTR2ARETSLC6A3HTR2CLMNA
SCHEMBL9245535 0.82 HTR2A (0.46) HTR2ARETSLC6A3HTR2CEGFR
Hydrochloric Acid SCHEMBL9247364 0.81 RET (0.45) HTR2ARETSLC6A3HTR2CEGFR
SCHEMBL11229958 0.76 MEN1 (0.44) HTR2ARETMEN1KMT2AACP3
SCHEMBL14407922 0.75 HTR2A (0.55) HTR2AHTR2CEGFRHRH1
SCHEMBL9247924 0.71 ANPEP (0.44) HTR2ARETHTR2CEGFRHRH1
SCHEMBL10743668 0.71 HTR2A (0.53) HTR2ARETSLC6A3HTR2CSMN1; SMN2
SCHEMBL11993914 0.70 HTR2A (0.53) HTR2ARETSLC6A3HTR2CSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455698-B1 FOR TREATING CEREBRAL ISCHEMIA OR CEREBRAL INFARCTION RESULTING FROM THROMBOEMBOLIC OR HEMORRHAGIC STROKE, CEREBRAL VASOSPASMS, HYPOGLYCEMIA, CARDIAC ARREST, NEURODEGENERATIVE DISORDERS WARNER-LAMBERT COMPANY 2002-09-24 US disclosed
US-20020065415-A1 Conformationally semi-constrained quinoxaline 2,3-diones as neuroprotective agents KORNBERG BRIAN EDWARD (US) 2002-05-30 US disclosed
US-6340758-B1 DRUGS AS NEUROPROTECTIVE AGENTS INVENTION MAY ALSO BE USEFUL IN THE TREATMENT OF SCHIZOPHRENIA, EPILEPSY, ANXIETY, PAIN AND DRUG ADDICTION. WARNER-LAMBERT COMPANY 2002-01-22 US disclosed
US-5449778-A Peptide intermediates WARNER-LAMBERT COMPANY (US) 1995-09-12 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-20020065415-A1 Conformationally semi-constrained quinoxaline 2,3-diones as neuroprotective agents CBR1, CBR3, CHRNA7 HTR2A 399/4885RET 4093/4885GID4 3040/4885

“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.