SCHEMBL3922930

SCHEMBL3922930

CCCCNC(=O)c1nc(-c2cc(F)ccc2C)n(CCC2CCCCC2)c1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.40
KIT P10721 3/20 0.40
HPGD P15428 2/20 0.39
NAMPT P43490 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
MDM2 Q00987 1/20 0.36
LCK P06239 1/20 0.36
SRC P12931 1/20 0.36
LDLR P01130 1/20 0.36
ABL1 P00519 3/20 0.36
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL3925402 0.84 CNR1 (0.47) CNR1CNR2
SCHEMBL3931761 0.82 ALDH1A1 (0.42) CNR1HTR2AHTR2CSLC6A4
SCHEMBL3929024 0.82 CNR1 (0.43) HPGDCNR1CNR2HTR2AHTR2C
SCHEMBL3930851 0.82 CNR1 (0.46) HPGDCNR1CNR2HTR2AHTR2C
SCHEMBL13716948 0.81 P2RX7 (0.37) MAPK14KITCNR1CNR2MDM2
SCHEMBL3931105 0.80 CNR1 (0.42) HPGDCNR1CNR2HTR2AHTR2C
SCHEMBL13716976 0.80 CNR1 (0.43) MAPK14KITCNR1CNR2MDM2
SCHEMBL3916107 0.80 ABL1 (0.47) HPGDCNR1CNR2ABL1
SCHEMBL3922332 0.80 CNR1 (0.41) HPGDCNR1CNR2
SCHEMBL3917692 0.79 ABL1 (0.48) HPGDCNR1CNR2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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 (2 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-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 MAPK14 2921/4885KIT 1049/4885HPGD 1767/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 MAPK14 3588/4885KIT 699/4885HPGD 1926/4885

“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.