SCHEMBL7944563

SCHEMBL7944563

CC(C)c1ccc(-c2ccon2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.40
PLCG2 P16885 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 2/20 0.36
PFKFB3 Q16875 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRM1 P11229 1/20 0.33
RET P07949 1/20 0.32
GAA P10253 1/20 0.31
MDM2 Q00987 1/20 0.30

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
SCHEMBL8286025 0.76 KDM4E (0.59) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL13160210 0.75 ALOX5 (0.36) ALOX5
SCHEMBL17616984 0.73 ALOX5 (0.35) CYP1A2CYP2D6CYP2C9CYP2C19ALOX5
SCHEMBL14074679 0.73 ALOX5 (0.35) CYP1A2CYP2D6CYP2C9CYP2C19ALOX5
SCHEMBL12568287 0.72 KDM4E (0.50) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL12621072 0.72 KDM4E (0.50) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL18327500 0.71 ADORA2A (0.33) KDM4E
SCHEMBL14519931 0.71 KMT2A (0.49) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL27634717 0.71 KDM4E (0.49) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL2744787 0.71 KDM4E (0.49) KDM4ENPC1RAB9AMAPTALDH1A1

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-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US disclosed
US-20100003276-A1 Methods for treating anthrax and inhibiting lethal factor HERMES JEFFERY D 2010-01-07 US disclosed
US-7504425-B2 Compounds useful in the treatment of anthrax and inhibiting lethal factor MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
US-20080015190-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME CORP. 2008-01-17 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 (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-20100003276-A1 Methods for treating anthrax and inhibiting lethal factor ANTXR2, SERPINB1, APAF1 KDM4E 3684/4885NPC1 3369/4885RAB9A 2368/4885
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 KDM4E 612/4885NPC1 1136/4885RAB9A 1371/4885
US-20080015190-A1 Inhibitors of Histone Deacetylase HDAC5, HDAC1, HDAC4 KDM4E 807/4885NPC1 590/4885RAB9A 2502/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 KDM4E 612/4885NPC1 1136/4885RAB9A 1371/4885

“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.