SCHEMBL4004747

SCHEMBL4004747

c1ccc2c(C3CCCC3)n[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 6/20 0.47
GAA P10253 2/20 0.47
PDPK1 O15530 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 3/20 0.44
IDO1 P14902 2/20 0.44
ALPL P05186 1/20 0.44
HPGD P15428 1/20 0.44
TTK P33981 1/20 0.44
MAPK10 P53779 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 2/20 0.41
LRRK2 Q5S007 2/20 0.39
TP53 P04637 1/20 0.39
AURKA O14965 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GRM4 Q14833 1/20 0.38

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
SCHEMBL15485748 0.96 KDM4E (0.47) RAB9ANPC1KDM4EGAAPDPK1
SCHEMBL3057752 0.92 KDM4E (0.50) RAB9ANPC1KDM4EGAAPDPK1
SCHEMBL29869220 0.86 HTR2C (0.50) RAB9ANPC1KDM4EGAAPDPK1
SCHEMBL1545976 0.86 HTR2C (0.50) RAB9ANPC1KDM4EGAAPDPK1
SCHEMBL30619334 0.84 KDM4E (0.43) RAB9ANPC1KDM4EGAAPDPK1
SCHEMBL6745979 0.84 KDM4E (0.43) RAB9ANPC1KDM4EGAAPDPK1
SCHEMBL31358121 0.84 HTR2A (0.51) RAB9ANPC1KDM4EGAAPDPK1
SCHEMBL7714021 0.84 HTR2A (0.51) RAB9ANPC1KDM4EGAAPDPK1
SCHEMBL1545709 0.82 HTR2A (0.50) KDM4EGAAPDPK1CYP3A4MAPK10
SCHEMBL25270970 0.80 KDM4E (0.46) RAB9ANPC1KDM4EGAAPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-09-01 US disclosed
US-7951832-B2 Pyrazole derivatives as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-31 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
EP-1699761-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-13 EP disclosed
WO-2005066126-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2005-07-21 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-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BRAF, MAP3K1, MAP3K3 RAB9A 1267/4885NPC1 1542/4885KDM4E 784/4885
US-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 RAB9A 1284/4885NPC1 554/4885KDM4E 3185/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG RAB9A 1203/4885NPC1 562/4885KDM4E 2897/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 RAB9A 1267/4885NPC1 1542/4885KDM4E 784/4885

“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.