SCHEMBL3277526

SCHEMBL3277526

COc1ccc2c(CBr)cccc2c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.56
MTNR1B P49286 3/20 0.56
IDH1 O75874 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
NQO2 P16083 1/20 0.48

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
SCHEMBL27626620 0.87 MTNR1A (0.60) MTNR1AMTNR1BIDH1SIGMAR1NQO2
SCHEMBL28193568 0.86 HTR2A (0.63) MTNR1AMTNR1BNQO2
1,4-Dimethoxybenzene SCHEMBL11332999 0.84 L3MBTL1 (0.59) CYP1A2
SCHEMBL9971034 0.84 MTNR1A (0.61) MTNR1AMTNR1BIDH1CYP1A2CYP2A6
SCHEMBL3275120 0.83 MTNR1A (0.44) MTNR1AMTNR1BIDH1NQO2
SCHEMBL1012628 0.83 MTNR1A (0.56) MTNR1AMTNR1BIDH1CYP1A2CYP2A6
SCHEMBL6856603 0.83 MTNR1A (0.59) MTNR1AMTNR1BIDH1CYP1A2CYP2A6
SCHEMBL7295488 0.83 MTNR1A (0.56) MTNR1AMTNR1BIDH1CYP1A2CYP2A6
SCHEMBL15345391 0.83 MTNR1A (0.56) MTNR1AMTNR1BIDH1CYP1A2CYP2A6
Bromide SCHEMBL29233693 0.81 MTNR1A (0.55) MTNR1AMTNR1BIDH1CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-6794384-B1 Hydroxylation activated drug release DE MONTFORT UNIVERSITY (GB) 2004-09-21 US disclosed
EP-1069915-B1 HYDROXYLATION ACTIVATED DRUG RELEASE UNIV MONTFORT (GB) 2003-06-25 EP disclosed
EP-1069915-A2 HYDROXYLATION ACTIVATED DRUG RELEASE DE MONTFORT UNIVERSITY (GB) 2001-01-24 EP disclosed
WO-1999040944-A2 HYDROXYLATION ACTIVATED DRUG RELEASE DE MONTFORT UNIVERSITY (GB) 1999-08-19 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 MTNR1A 147/4885MTNR1B 259/4885IDH1 2271/4885

“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.