SCHEMBL3298972

SCHEMBL3298972

Cc1c(C(=O)C2(c3ccccc3F)CCCC2)c2cccc(Br)c2n1CCCNS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.39
HDAC4 P56524 4/20 0.37
TRPV4 Q9HBA0 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
P2RX7 Q99572 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
CNR1 P21554 2/20 0.32
MC4R P32245 1/20 0.32

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
SCHEMBL3303465 0.90 CNR2 (0.39) CNR2HDAC4TRPV4MAPTLMNA
SCHEMBL476660 0.80 CNR2 (0.52) CNR2TRPV4TDP1CNR1
SCHEMBL3296904 0.79 CNR2 (0.41) CNR2TRPV4ALDH1A1SMN1; SMN2TDP1
SCHEMBL3301795 0.78 CNR2 (0.42) CNR2TRPV4ALDH1A1SMN1; SMN2TDP1
SCHEMBL476646 0.77 CNR2 (0.52) CNR2TRPV4TDP1CNR1
SCHEMBL476609 0.76 CNR2 (0.56) CNR2TRPV4TDP1CNR1
SCHEMBL476652 0.75 CNR2 (0.38) CNR2HDAC4TRPV4TDP1TLR7
SCHEMBL3296756 0.75 CNR2 (0.40) CNR2TRPV4TDP1TLR7CNR1
SCHEMBL476631 0.74 CNR2 (0.52) CNR2TRPV4TDP1CNR1
SCHEMBL476623 0.73 CNR2 (0.52) CNR2TRPV4TDP1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US claimed
US-7741363-B2 3-Acylindole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-06-22 US disclosed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US disclosed
EP-1951225-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF sanofi-aventis (FR) 2008-08-06 EP disclosed
WO-2007057571-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-24 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 (1 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-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF F12, ECI1, NQO2 CNR2 31/4885HDAC4 912/4885TRPV4 4134/4885

“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.