SCHEMBL3205385

SCHEMBL3205385

O=C1CCCc2c(O)cc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.44
MAOB P27338 4/20 0.44
PRKCI P41743 1/20 0.44
HSD17B1 P14061 1/20 0.40
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
PBRM1 Q86U86 1/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
BRD4 O60885 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL3213205 0.81 MAOA (0.47) MAOAMAOBPRKCIHSD17B1LMNA
SCHEMBL769083 0.81 ALDH1A1 (0.39) MAOAMAOBPRKCIHSD17B1LMNA
SCHEMBL31385136 0.79 ALDH1A1 (0.40) MAOAMAOBPRKCIHSD17B1LMNA
SCHEMBL7387407 0.78 MAOA (0.44) MAOAMAOBPRKCIHSD17B1LMNA
SCHEMBL30917672 0.78 MAOA (0.41) MAOAMAOBPRKCIHSD17B1LMNA
SCHEMBL2818508 0.78 ALDH1A1 (0.41) MAOAMAOBPRKCIHSD17B1LMNA
SCHEMBL14120402 0.77 ACHE (0.37) MAOAMAOBPRKCIHSD17B1LMNA
SCHEMBL3218869 0.74 MAOA (0.44) MAOAMAOBPRKCIHSD17B1LMNA
SCHEMBL22618638 0.74 ALDH1A1 (0.46) HSD17B1ALDH1A1MAPTBRD4NPSR1
SCHEMBL29383571 0.74 ALDH1A1 (0.46) HSD17B1ALDH1A1MAPTBRD4NPSR1

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 7 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
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

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-20100041713-A1 SUBSTITUTED AMINOTETRALINES HRH4, HRH1, HRH2 MAOA 2001/4885MAOB 1561/4885PRKCI 3692/4885

“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.