SCHEMBL3383161

SCHEMBL3383161

Cc1cn(C[C@@H]2CCCO2)c(=N)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 8/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 4/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRD4 O60885 1/20 0.38
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL944234 1.00 KMT2A (0.41) KMT2AALDH1A1TSHRGAAHSD17B10
SCHEMBL944233 1.00 KMT2A (0.41) KMT2AALDH1A1TSHRGAAHSD17B10
SCHEMBL963754 0.96 BRD4 (0.42) KMT2AALDH1A1TSHRGAAHSD17B10
SCHEMBL3387064 0.92 BRD4 (0.33) KMT2AALDH1A1TSHRGAAHSD17B10
SCHEMBL3386784 0.85 ALDH1A1 (0.41) KMT2AALDH1A1TSHRGAAHSD17B10
SCHEMBL3388332 0.82 ALDH1A1 (0.38) KMT2AALDH1A1TSHRGAAHSD17B10
SCHEMBL944177 0.82 CNR2 (0.44) CNR2
SCHEMBL3386311 0.82 CNR2 (0.44) CNR2
SCHEMBL944178 0.82 CNR2 (0.44) CNR2
SCHEMBL967071 0.81 CHRM2 (0.35) ALDH1A1

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 8 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
CN-101925300-A Novel compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB 2010-12-22 CN disclosed
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 WO 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 KMT2A 1378/4885ALDH1A1 898/4885TSHR 332/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 KMT2A 1609/4885ALDH1A1 914/4885TSHR 334/4885

“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.