SCHEMBL6495751

SCHEMBL6495751

COc1ccc2ccccc2c1C=Cc1ccncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 5/20 0.44
BACE1 P56817 1/20 0.44
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL6498396 0.82 MAPT (0.61) CYP1A2CYP2C9CYP2C19MTNR1AMTNR1B
SCHEMBL2604927 0.82 MAPT (0.61) CYP1A2CYP2C9CYP2C19MTNR1AMTNR1B
SCHEMBL2604947 0.81 KDM4E (0.55) CYP1A2CYP2C9CYP2C19MTNR1AMTNR1B
SCHEMBL2604953 0.76 BACE1 (0.61) CYP1A2CYP2C9CYP2C19MTNR1AMTNR1B
SCHEMBL2604931 0.75 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19MTNR1AMTNR1B
SCHEMBL6501923 0.75 RIOK2 (0.66) CYP1A2CYP2C9CYP2C19MTNR1AMTNR1B
SCHEMBL11670988 0.74 KDM4E (0.56) CYP1A2CYP2C9CYP2C19MTNR1AMTNR1B
SCHEMBL19076267 0.74 NFE2L2 (0.53) CYP1A2CYP3A4KDM4EMAPTMAPK1
SCHEMBL11670985 0.74 KDM4E (0.56) CYP1A2CYP2C9CYP2C19MTNR1AMTNR1B
SCHEMBL3954692 0.73 KDM4E (0.59) CYP1A2CYP2C9CYP2C19MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846830-B2 Naphtalene derivatives and their pharmaceutical use ELI LILLY AND COMPANY (US) 2005-01-25 US disclosed
US-20030073725-A1 Naphtalene derivatives and their pharmaceutical use ELI LILLY AND COMPANY 2003-04-17 US disclosed
EP-1272469-A1 NAPHTHALENE DERIVATIVES AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2003-01-08 EP disclosed
EP-1138328-A1 Naphthalene derivatives as CNS drugs ELI LILLY AND COMPANY LIMITED (GB) 2001-10-04 EP disclosed
WO-2001072709-A1 NAPHTALENE DERIVATIVES AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2001-10-04 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-20030073725-A1 Naphtalene derivatives and their pharmaceutical use CHRNA6, ATP6V1B2, GRM6 CYP1A2 461/4885CYP2C9 1497/4885CYP2C19 1587/4885

“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.