SCHEMBL3058722

SCHEMBL3058722

COc1ccc(CC(C)N)cc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.57
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
KMT2A Q03164 1/20 0.55
BCHE P06276 1/20 0.55
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL6795931 0.94 MEN1 (0.55) KDM4EKMT2ABCHE
SCHEMBL23640070 0.93 TAAR1 (0.55) SIGMAR1MAPK1
SCHEMBL11833131 0.93 TAAR1 (0.55) SIGMAR1MAPK1
SCHEMBL26851116 0.93 TAAR1 (0.55) SIGMAR1MAPK1
SCHEMBL16930273 0.89 SIGMAR1 (0.55) SIGMAR1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL21066487 0.89 SIGMAR1 (0.55) SIGMAR1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL16973524 0.89 SIGMAR1 (0.55) SIGMAR1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL30472720 0.89 SIGMAR1 (0.55) SIGMAR1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL30302254 0.86 SIGMAR1 (0.62) SIGMAR1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL16973515 0.86 ABCB1 (0.56) SIGMAR1KDM4ELMNAHTTSMN1; SMN2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
EP-3099685-B1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
EP-3099685-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2016-12-07 EP disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-9458153-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-8420670-B2 4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2013-04-16 US disclosed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-09-02 US disclosed
EP-2178842-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2010-04-28 EP disclosed
EP-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2009024611-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2009-02-26 WO disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 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 (4 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-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, HCCS, DHX15 SIGMAR1 1670/4885KDM4E 738/4885LMNA 2002/4885
US-20100222299-A1 COMPOUND MKI67, VHL, MYC SIGMAR1 4163/4885KDM4E 1083/4885LMNA 3312/4885
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, HCCS, DHX15 SIGMAR1 1670/4885KDM4E 738/4885LMNA 2002/4885
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GDI2, GDI1, NQO2 SIGMAR1 2427/4885KDM4E 1221/4885LMNA 2450/4885

“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.