SCHEMBL3750688

SCHEMBL3750688

CCCCn1c2c(sc1=N)COC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.41
LMNA P02545 7/20 0.41
HTT P42858 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NR2F2 P24468 2/20 0.41
NPC1 O15118 7/20 0.36
SLC2A1 P11166 5/20 0.36
NPSR1 Q6W5P4 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
S1PR2 O95136 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NLRP3 Q96P20 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
SCHEMBL944243 0.86 RAB9A (0.38) RAB9ALMNAHTTSMN1; SMN2NR2F2
SCHEMBL5047353 0.79 ADORA2B (0.33) HTTALDH1A1RGS4
Bromide SCHEMBL4940305 0.74 CYP1A1 (0.48) RAB9ALMNAHTTSMN1; SMN2NR2F2
SCHEMBL4891645 0.70 PDE1A (0.31)
SCHEMBL4900906 0.65 LMNA (0.30) RAB9ALMNAHTTSMN1; SMN2NR2F2
SCHEMBL942848 0.65 RGS4 (0.36) RAB9ALMNAHTTSMN1; SMN2NR2F2
SCHEMBL4900911 0.64 LMNA (0.30) RAB9ALMNAHTTSMN1; SMN2NR2F2
Iodide SCHEMBL945029 0.63 RAB9A (0.39) RAB9ALMNAHTTSMN1; SMN2NR2F2
SCHEMBL4114417 0.60 RAB9A (0.37) RAB9ALMNAHTTSMN1; SMN2NR2F2
Iodide SCHEMBL965881 0.59 F12 (0.56) RAB9AHTTNPC1NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735434-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-05-27 US disclosed
EP-2160393-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-03-10 EP disclosed
WO-2008144360-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-11-27 WO disclosed
US-20080287510-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-11-20 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 (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-20080287510-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 RAB9A 1124/4885LMNA 4197/4885HTT 3022/4885

“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.