SCHEMBL3386246

SCHEMBL3386246

COCCn1/c(=N/C(=O)C2CCCCC2)sc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 6/20 0.49
KDM4E B2RXH2 5/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
NPC1 O15118 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL3386250 1.00 ALDH1A1 (0.50) ALDH1A1RAB9AHPGDKDM4ELMNA
SCHEMBL5121977 1.00 ALDH1A1 (0.50) ALDH1A1RAB9AHPGDKDM4ELMNA
SCHEMBL5121982 1.00 ALDH1A1 (0.50) ALDH1A1RAB9AHPGDKDM4ELMNA
SCHEMBL3384536 0.99 ALDH1A1 (0.49) ALDH1A1RAB9AHPGDKDM4ELMNA
SCHEMBL3384541 0.99 ALDH1A1 (0.49) ALDH1A1RAB9AHPGDKDM4ELMNA
SCHEMBL3388390 0.90 ALDH1A1 (0.47) ALDH1A1RAB9AHPGDKDM4ELMNA
SCHEMBL3388392 0.90 ALDH1A1 (0.47) ALDH1A1RAB9AHPGDKDM4ELMNA
SCHEMBL3382662 0.86 ALDH1A1 (0.46) ALDH1A1RAB9AHPGDKDM4ELMNA
SCHEMBL3382666 0.86 ALDH1A1 (0.46) ALDH1A1RAB9AHPGDKDM4ELMNA
SCHEMBL3382658 0.86 ALDH1A1 (0.46) ALDH1A1RAB9AHPGDKDM4ELMNA

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-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 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
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 898/4885RAB9A 1297/4885HPGD 2262/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 914/4885RAB9A 1315/4885HPGD 2066/4885

“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.