SCHEMBL4573447

SCHEMBL4573447

[NH]C1(c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A3 Q01959 3/20 0.42
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
HSD11B1 P28845 3/20 0.37
DAO P14920 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
ACHE P22303 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL7905293 0.90 SLC6A3 (0.48) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL9230998 0.68 MAOB (0.43) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL56590 0.68 MAOB (0.48) MAOBMAOASLC6A3
SCHEMBL12293743 0.68 MAOB (0.43) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL7824744 0.68 OPRM1 (0.53) MAOBMAOASLC6A4SLC6A2OPRM1
SCHEMBL19093772 0.67 ESR1 (0.60) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL22436647 0.67 MAOB (0.41) MAOBMAOASLC6A3SLC6A4SLC6A2
Ethyne SCHEMBL27932680 0.65 CA1 (0.53) CA1CA2CA7CA9ACHE
SCHEMBL13361601 0.65 SLC6A3 (0.48) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL19830973 0.65 PNMT (0.58) MAOBMAOASLC6A3HSD11B1OPRM1

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP MAOB 326/4885MAOA 935/4885SLC6A3 1325/4885

“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.