SCHEMBL3418170

SCHEMBL3418170

COCCn1c(-c2ccc(Cl)cc2)c(C)sc1=N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2D6 P10635 2/20 0.37
CASR P41180 4/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
Bromide SCHEMBL3387432 0.99 APOBEC3G (0.39) APOBEC3GHTR1AHTR2AHTR7HTR6
SCHEMBL3418220 0.86 HPGD (0.49) ALDH1A1HSD17B10TSHRHPGDCASR
Bromide SCHEMBL3384564 0.84 HPGD (0.48) ALDH1A1HSD17B10TSHRHPGDCASR
SCHEMBL3386346 0.72 CNR1 (0.44) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL3383143 0.71 CNR2 (0.66) HTR1AHTR2AHTR7HTR6ALDH1A1
SCHEMBL3383136 0.71 CNR2 (0.66) HTR1AHTR2AHTR7HTR6ALDH1A1
Bromide SCHEMBL944336 0.71 CNR1 (0.43) ALDH1A1HSD17B10TSHRHPGDMEN1
SCHEMBL27763425 0.66 ADORA2B (0.34) ALDH1A1CASR
SCHEMBL3386303 0.66 F12 (0.54) ALDH1A1CYP1A2CYP3A4CYP2C9HSD17B10
Bromide SCHEMBL963084 0.65 CNR1 (0.33) ALDH1A1CASR

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 6 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
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
EP-2038266-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-03-25 EP disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 US disclosed
WO-2007140385-A2 THIAZOLE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 APOBEC3G 3174/4885HTR1A 84/4885HTR2A 227/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 APOBEC3G 3187/4885HTR1A 84/4885HTR2A 236/4885

“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.