SCHEMBL2169596

SCHEMBL2169596

Cc1sc(=N)n(CC2CCCO2)c1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 3/20 0.49
GAA P10253 2/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 3/20 0.43
EPHX2 P34913 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL2169593 1.00 KMT2A (0.50) KMT2AALDH1A1HSD17B10GAARAB9A
Bromide SCHEMBL3383397 0.98 KMT2A (0.49) KMT2AALDH1A1HSD17B10GAARAB9A
Bromide SCHEMBL963221 0.94 KMT2A (0.44) KMT2AALDH1A1HSD17B10GAARAB9A
SCHEMBL4276772 0.80 ALDH1A1 (0.49) KMT2AALDH1A1HSD17B10GAARAB9A
SCHEMBL3382955 0.80 KMT2A (0.60) KMT2AALDH1A1HSD17B10GAARAB9A
SCHEMBL3382950 0.80 KMT2A (0.60) KMT2AALDH1A1HSD17B10GAARAB9A
SCHEMBL2484586 0.76 NOTUM (0.37)
SCHEMBL966076 0.76 RIPK3 (0.32)
SCHEMBL944233 0.73 KMT2A (0.41) KMT2AALDH1A1HSD17B10GAARAB9A
SCHEMBL944234 0.73 KMT2A (0.41) KMT2AALDH1A1HSD17B10GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546242-B1 Cannabinoid receptor ligands ABBVIE INC (US) 2016-03-30 EP disclosed
EP-2457903-B1 Cannabinoid receptor ligands ABBVIE INC (US) 2016-01-13 EP disclosed
EP-2546241-B1 Cannabinoid receptor ligands ABBVIE INC (US) 2015-06-17 EP disclosed
US-8846730-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-09-30 US disclosed
EP-2546241-A1 Cannabinoid receptor ligands Abbott Laboratories (US) 2013-01-16 EP disclosed
EP-2546242-A1 Cannabinoid receptor ligands Abbott Laboratories (US) 2013-01-16 EP disclosed
EP-2457903-A1 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-05-30 EP disclosed
EP-2346843-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-07-27 EP disclosed
US-20100063022-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-11 US disclosed
WO-2010028338-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-11 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 (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-20100063022-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R KMT2A 2337/4885ALDH1A1 1868/4885HSD17B10 3501/4885

“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.