SCHEMBL3384709

SCHEMBL3384709

COc1ccc(Cl)cc1C(=O)/N=c1\sc(C)cn1CCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CNR2 P34972 5/20 0.44
CNR1 P21554 3/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3384713 1.00 ALDH1A1 (0.45) ALDH1A1CNR2CNR1KDM4EMEN1
SCHEMBL3388000 0.88 CNR2 (0.58) CNR2
SCHEMBL3387995 0.88 CNR2 (0.58) CNR2
SCHEMBL3385016 0.86 CNR2 (0.47) ALDH1A1CNR2CNR1KDM4EMEN1
SCHEMBL3385019 0.86 CNR2 (0.47) ALDH1A1CNR2CNR1KDM4EMEN1
SCHEMBL3385032 0.85 CNR2 (0.47) ALDH1A1CNR2CNR1KDM4EMEN1
SCHEMBL3385041 0.85 CNR2 (0.47) ALDH1A1CNR2CNR1KDM4EMEN1
SCHEMBL3384559 0.84 CNR2 (0.48) ALDH1A1CNR2KDM4EMAPTNPSR1
SCHEMBL3384555 0.84 CNR2 (0.48) ALDH1A1CNR2KDM4EMAPTNPSR1
SCHEMBL3388003 0.84 CNR2 (0.46) ALDH1A1CNR2CNR1MEN1KMT2A

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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US claimed
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 898/4885CNR2 2/4885CNR1 1/4885

“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.