SCHEMBL6701989

SCHEMBL6701989

N[C@@H]1[C@@H]2CC[C@H]1Cc1ccc(OCc3ccccc3)cc1C2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.53
HRH3 Q9Y5N1 7/20 0.52
CYP2D6 P10635 3/20 0.50
HRH1 P35367 1/20 0.50
ALOX5 P09917 1/20 0.46
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
FAAH O00519 4/20 0.46

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
SCHEMBL24081406 0.80 HRH3 (0.47) KDM1AHRH3CYP2D6HRH1ALOX5
SCHEMBL14263757 0.78 MAOA (0.52) KDM1AHRH3CYP2D6HRH1MAOA
SCHEMBL4045668 0.78 MAOA (0.52) KDM1AHRH3CYP2D6HRH1MAOA
SCHEMBL12471689 0.77 HRH3 (0.52) KDM1AHRH3CYP2D6HRH1ALOX5
SCHEMBL6705268 0.76 PSEN1 (0.49) HRH3CYP2D6HRH1MAOAMAOB
SCHEMBL12471199 0.76 HRH3 (0.51) KDM1AHRH3CYP2D6HRH1ALOX5
SCHEMBL6107804 0.76 KDM1A (0.48) KDM1AHRH3CYP2D6HRH1MAOA
SCHEMBL5069775 0.75 MAOB (0.45) MAOAMAOB
SCHEMBL18983590 0.75 HRH3 (0.59) HRH3CYP2D6HRH1FAAH
SCHEMBL31344785 0.75 HRH3 (0.59) KDM1AHRH3CYP2D6HRH1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US 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-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 KDM1A 2768/4885HRH3 1335/4885CYP2D6 4150/4885

“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.