SCHEMBL3090915

SCHEMBL3090915

OC[C@H]1Cc2ccc(Br)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 12/20 0.57
ADRA2A P08913 4/20 0.46
ADRA2B P18089 3/20 0.46
ADRA2C P18825 3/20 0.46
FYN P06241 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B2 P19099 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
PRMT5 O14744 1/20 0.36

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
SCHEMBL3090923 1.00 PNMT (0.57) PNMTADRA2AADRA2BADRA2CFYN
SCHEMBL10531254 0.85 PNMT (0.51) PNMTADRA2AADRA2BADRA2CCYP19A1
SCHEMBL9241845 0.85 PNMT (0.59) PNMTADRA2AADRA2BADRA2CFYN
SCHEMBL24214091 0.80 PNMT (0.59) PNMTADRA2AADRA2BADRA2CFYN
SCHEMBL8217425 0.80 PNMT (0.59) PNMTADRA2AADRA2BADRA2CFYN
SCHEMBL9245560 0.78 PNMT (0.44) PNMTADRA2AADRA2BADRA2CPRMT5
SCHEMBL388968 0.78 CYP19A1 (0.57) CYP19A1CYP11B2
SCHEMBL29380284 0.77 PNMT (0.49) PNMTADRA2AADRA2BADRA2C
SCHEMBL13227654 0.77 PNMT (0.49) PNMTADRA2AADRA2BADRA2C
SCHEMBL6959841 0.76 SLC6A4 (0.50) PNMTADRA2AADRA2BADRA2CCYP19A1

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-7803816-B2 MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1934199-B1 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-04-22 EP disclosed
EP-1934199-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039462-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070078165-A1 MCH receptor antagonists BERTHEL STEVEN J 2007-04-05 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-20070078165-A1 MCH receptor antagonists MCHR1, MCHR2, MC5R PNMT 233/4885ADRA2A 84/4885ADRA2B 86/4885

“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.