SCHEMBL6774282

SCHEMBL6774282

NCC1COc2ccc3[nH]ncc3c2O1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.32
DRD2 P14416 5/20 0.32
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32
HTR2B P41595 4/20 0.32
IDO1 P14902 1/20 0.32
CREBBP Q92793 1/20 0.31
CA2 P00918 1/20 0.31
CHEK1 O14757 4/20 0.31
CHEK2 O96017 2/20 0.31
NOS1 P29475 3/20 0.30
AXL P30530 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL7684155 0.79 ADRA1A (0.47) HTR1ADRD2HTR2AHTR2C
SCHEMBL6768862 0.75 DRD2 (0.36) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6768864 0.75 OPRK1 (0.32)
SCHEMBL7677439 0.74 LMNA (0.37) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6768901 0.74 LMNA (0.37) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6765019 0.74 HTR1A (0.41) HTR1ADRD2
SCHEMBL6768907 0.74 LMNA (0.37) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6199543 0.73 HTR1A (0.36) HTR1ADRD2CA2
SCHEMBL4341944 0.72 HTR1A (0.33) HTR1ADRD2CA2
SCHEMBL9507945 0.71 CYP19A1 (0.43) HTR1AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800641-B2 FOR THERAPY OF SCHIZOPHRENIA, SCHIZOAFFECTIVE DISORDER, BIPOLAR DISORDER, PARKINSON'S DISEASE, L-DOPA INDUCED PSYCHOSES OR DYSKINESIAS, TOURETTE'S SYNDROME, HYPERPROLACTINEMIA, OR ADDICTION TO ETHANOL, NICOTINE, COCAINE WYETH 2004-10-05 US disclosed
US-20020183331-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-2,3-diaza-cyclopenta[a]naphthalene WYETH 2002-12-05 US disclosed
WO-2002088133-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-6,9-DIOXA-2,3-DIAZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-11-07 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-20020183331-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-2,3-diaza-cyclopenta[a]naphthalene SNCA, SYNJ1, SLC6A3 HTR1A 86/4885DRD2 13/4885HTR2A 124/4885

“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.