SCHEMBL6776276

SCHEMBL6776276

COc1ccc(Cn2cncc2CCO)cc1C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.57
CYP11B2 P19099 13/20 0.57
DBH P09172 1/20 0.46
CRHBP P24387 3/20 0.43
CRHR2 Q13324 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6774851 0.81 DBH (0.45) CYP11B1CYP11B2DBHCRHBPCRHR2
SCHEMBL7658010 0.81 CYP11B1 (0.53) CYP11B1CYP11B2
SCHEMBL6781178 0.80 CYP11B1 (0.47) CYP11B1CYP11B2DBHCRHBPCRHR2
SCHEMBL4161202 0.74 HPGD (0.49) DBHCRHBPCRHR2SMN1; SMN2MAPT
SCHEMBL31174285 0.74 HPGD (0.49) DBHCRHBPCRHR2SMN1; SMN2MAPT
SCHEMBL6774918 0.72 CYP11B1 (0.82) CYP11B1CYP11B2
SCHEMBL6771366 0.72 MAOB (0.48) CYP11B1CYP11B2
SCHEMBL9837445 0.72 ITGA4 (0.42) CYP11B1CYP11B2
SCHEMBL9837440 0.72 ITGA4 (0.42) CYP11B1CYP11B2
SCHEMBL7187666 0.71 CYP11B1 (0.60) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171844-A1 Dihydro-2H-naphthalene-1-one inhibitors of ras farnesyl transferase LEONARD DANIELE MARIE (US) 2004-09-02 US disclosed
US-20040063770-A1 Method for treating Alzheimer's disease WARNER-LAMBERT COMPANY 2004-04-01 US disclosed
US-20030232790-A1 Dihydro-2h-napthalene-1-one inhibitors of ras farnesyl transferase WARNER-LAMBERT COMPANY 2003-12-18 US disclosed
EP-1276724-A2 DIHYDRO-2H-NAPHTHALENE-1-ONE INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
US-20010051642-A1 Method for treating Alzheimer's disease AHN KYUNGHYE (US) 2001-12-13 US disclosed
WO-2001079179-A2 DIHYDRO-2H-NAPHTHALENE-1-ONE INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 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 (4 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-20040171844-A1 Dihydro-2H-naphthalene-1-one inhibitors of ras farnesyl transferase NRAS, HRAS, FNTB CYP11B1 507/4885CYP11B2 1099/4885DBH 2103/4885
US-20040063770-A1 Method for treating Alzheimer's disease BACE1, BACE2, PSEN1 CYP11B1 83/4885CYP11B2 110/4885DBH 94/4885
US-20010051642-A1 Method for treating Alzheimer's disease BACE1, BACE2, PSEN1 CYP11B1 83/4885CYP11B2 110/4885DBH 94/4885
US-20030232790-A1 Dihydro-2h-napthalene-1-one inhibitors of ras farnesyl transferase NRAS, FNTA, CYP46A1 CYP11B1 206/4885CYP11B2 430/4885DBH 1521/4885

“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.