SCHEMBL3922693

SCHEMBL3922693

COc1ccc(Br)cc1-c1cc(C(=O)NC2CCCCC2)c(C)n1CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 1/20 0.50
CRHBP P24387 1/20 0.50
HTT P42858 1/20 0.50
CRHR2 Q13324 1/20 0.50
CNR1 P21554 2/20 0.47
ALOX12 P18054 1/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
RORC P51449 1/20 0.43
ALPL P05186 1/20 0.42
KDM1A O60341 1/20 0.42

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
SCHEMBL3931017 0.90 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL3918365 0.90 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL3916536 0.89 CNR1 (0.50) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL3916522 0.89 CNR1 (0.51) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL3917712 0.89 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL3922286 0.89 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL3917698 0.88 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL3918046 0.87 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL3930616 0.83 CNR1 (0.51) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL3922324 0.81 CNR1 (0.49) ALDH1A1MAPTMEN1KMT2ANPSR1

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
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
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 ALDH1A1 1464/4885MAPT 4278/4885MEN1 2554/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 ALDH1A1 1498/4885MAPT 3966/4885MEN1 2306/4885

“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.