SCHEMBL3089985

SCHEMBL3089985

O=C(O)[C@H]1Cc2ccc(Br)cc2C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 11/20 0.44
ADRA2A P08913 4/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
PRMT5 O14744 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL1016657 1.00 PNMT (0.44) PNMTADRA2AADRA2BADRA2CSRD5A1
SCHEMBL31537554 1.00 PNMT (0.44) PNMTADRA2AADRA2BADRA2CSRD5A1
SCHEMBL26814042 1.00 PNMT (0.44) PNMTADRA2AADRA2BADRA2CSRD5A1
SCHEMBL2875480 0.83 SIRT1 (0.43) PNMTADRA2AADRA2BADRA2CPRMT5
SCHEMBL12048612 0.83 PNMT (0.46) PNMTADRA2AADRA2BADRA2CSRD5A1
SCHEMBL1339915 0.79 KMT2A (0.47) PNMTADRA2AADRA2BADRA2CPRMT5
SCHEMBL30437369 0.79 KMT2A (0.47) PNMTADRA2AADRA2BADRA2CPRMT5
SCHEMBL9370418 0.78 DRD2 (0.46)
SCHEMBL19718187 0.77 ALDH1A1 (0.53) SRD5A1SRD5A2
SCHEMBL16057335 0.77 PSEN1 (0.42)

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 10 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
CN-101273026-A Indane derivatives as MCH receptor antagonists HOFFMANN LA ROCHE (CH) 2008-09-24 CN 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
EP-0807101-B1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS UPJOHN CO (US) 2001-06-13 EP disclosed
US-5936000-A 2-aminoindans as selective dopamine D3 ligands PHARMACIA & UPJOHN COMPANY (US) 1999-08-10 US disclosed
EP-0807101-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1997-11-19 EP disclosed
WO-1996023760-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-08 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-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.