SCHEMBL769083

SCHEMBL769083

O=C1CCCc2c(Br)cc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
PRKCI P41743 1/20 0.39
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP2A6 P11509 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14120402 0.96 ACHE (0.37) ALDH1A1MAPTMAPK1LMNAMAOA
SCHEMBL31385136 0.82 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1LMNAMAOA
SCHEMBL3205385 0.81 MAOA (0.44) ALDH1A1MAPTMAPK1LMNAMAOA
SCHEMBL28937922 0.81 ALDH1A1 (0.36) ALDH1A1MAPTMAPK1LMNAMAOA
SCHEMBL30748287 0.81 SIRT2 (0.39) ALDH1A1MAPTMAPK1LMNAMAOA
SCHEMBL16397656 0.81 SIRT2 (0.39) ALDH1A1MAPTMAPK1LMNAMAOA
SCHEMBL3218869 0.81 MAOA (0.44) ALDH1A1MAPTMAPK1LMNAMAOA
SCHEMBL2818508 0.81 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1LMNAMAOA
SCHEMBL30917672 0.81 MAOA (0.41) ALDH1A1MAPTMAPK1LMNAMAOA
SCHEMBL30083746 0.81 ALDH1A1 (0.36) ALDH1A1MAPTMAPK1LMNAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263656-B2 Substituted aminotetralines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 US disclosed
US-8263656-B2 Substituted aminotetralines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 US disclosed
US-8263656-B2 Substituted aminotetralines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 US disclosed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
WO-2010018109-A2 SUBSTITUTED AMINOTETRALINES F. HOFFMANN-LA ROCHE AG (CH) 2010-02-18 WO disclosed
US-20100041713-A1 SUBSTITUTED AMINOTETRALINES FIROOZNIA FARIBORZ 2010-02-18 US disclosed
US-20100041713-A1 SUBSTITUTED AMINOTETRALINES FIROOZNIA FARIBORZ 2010-02-18 US disclosed
US-20100041713-A1 SUBSTITUTED AMINOTETRALINES FIROOZNIA FARIBORZ 2010-02-18 US disclosed
EP-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
US-5753655-A PROGESTINS OR ANTIPROGESTINS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-05-19 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 (3 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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 ALDH1A1 1716/4885MAPT 31/4885MAPK1 3205/4885
US-20100041713-A1 SUBSTITUTED AMINOTETRALINES HRH4, HRH1, HRH2 ALDH1A1 1500/4885MAPT 3548/4885MAPK1 3971/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 ALDH1A1 1541/4885MAPT 33/4885MAPK1 3323/4885

“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.