SCHEMBL3928217

SCHEMBL3928217

Cc1c(C(=O)O)cc(-c2ccccc2OC(F)(F)F)n1CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
CNR1 P21554 2/20 0.45
DHODH Q02127 1/20 0.41
CNR2 P34972 1/20 0.40
GNRHR P30968 1/20 0.40
RORC P51449 1/20 0.40
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
SLC6A4 P31645 3/20 0.39
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
PLA2G2A P14555 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3927864 0.95 NOTUM (0.51) NOTUMCNR1DHODHCNR2GNRHR
SCHEMBL3931096 0.88 CNR1 (0.48) CNR1RORCHTR2AHTR2CSLC6A4
SCHEMBL3927996 0.88 CNR1 (0.52) CNR1CNR2RORCHTR2AHTR2C
SCHEMBL3929723 0.88 CNR1 (0.48) CNR1RORCHTR2AHTR2CSLC6A4
SCHEMBL3922283 0.86 CNR1 (0.50) CNR1CNR2RORCHTTTP53
SCHEMBL13744899 0.86 SCN9A (0.44) NOTUMCNR1CNR2HTTALDH1A1
SCHEMBL4372532 0.85 ALDH1A1 (0.48) HTTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL4371560 0.85 ALDH1A1 (0.48) HTTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL4371558 0.85 ALDH1A1 (0.48) HTTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL13717162 0.85 CNR1 (0.66) CNR1CNR2RORCHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US claimed
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
CN-100395234-C Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-06-18 CN 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
CN-101012193-A Novel CB 1 receptour inverse agonists HOFFMANN LA ROCHE (CH) 2007-08-08 CN disclosed
CN-1735593-A Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 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 (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 NOTUM 3125/4885CNR1 1/4885DHODH 4255/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 NOTUM 3512/4885CNR1 1/4885DHODH 4193/4885

“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.