SCHEMBL1060038

SCHEMBL1060038

CN(C)CCc1cc2cc(N)cc(N)c2o1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.35
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
TAAR1 Q96RJ0 2/20 0.30
CYP2D6 P10635 1/20 0.30
FTO Q9C0B1 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
SCHEMBL2265855 0.78 TLR8 (0.36) TLR8
SCHEMBL1064791 0.69 HRH3 (0.41)
SCHEMBL2270797 0.67 ALDH1A1 (0.37)
SCHEMBL1061184 0.67 SIGMAR1 (0.41) TLR8
SCHEMBL30886917 0.65 SMN1; SMN2 (0.57) TAAR1
SCHEMBL8950010 0.62 ALDH1A1 (0.50) TAAR1
SCHEMBL8950158 0.61 APP (0.47)
SCHEMBL11757551 0.61 TAAR1 (0.41) NOS1TAAR1
Hydrochloric Acid SCHEMBL11760185 0.60 TAAR1 (0.40) TAAR1
SCHEMBL31173760 0.59 CYP2D6 (0.55) CYP2D6

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-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-20060287291-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-21 US disclosed
EP-1694663-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER Biovitrum Aktiebolag (SE) 2006-08-30 EP disclosed
WO-2005058858-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER BIOVITRUM AB (SE) 2005-06-30 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 (2 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-20060287291-A1 Compounds HTR6, HTR1B, HTR1A TLR8 2221/4885NOS3 1111/4885NOS1 1299/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A TLR8 1508/4885NOS3 1329/4885NOS1 2030/4885

“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.