SCHEMBL963578

SCHEMBL963578

CC(C)(C)c1cnc(NC(=O)C23CC4CC(CC(O)(C4)C2)C3)s1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CNR2 P34972 4/20 0.46
CNR1 P21554 3/20 0.46
NTSR1 P30989 1/20 0.41
P2RX7 Q99572 1/20 0.41
EPHX2 P34913 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL16073072 0.76 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL963487 0.71 CNR2 (0.53) NPC1RAB9AALDH1A1CNR2CNR1
SCHEMBL1002723 0.71 CNR1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12851970 0.70 RAB9A (0.62) NPC1RAB9ASMN1; SMN2CNR2
SCHEMBL179490 0.69 CCNE1 (0.52) CNR2
SCHEMBL962327 0.68 CNR2 (0.53) NPC1RAB9AALDH1A1CNR2CNR1
SCHEMBL19261385 0.67 CCND3 (0.43) NPC1RAB9ASMN1; SMN2CNR2
SCHEMBL16073057 0.67 EPHX2 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2276927 0.67 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL22494694 0.66 CNR2 (0.45) RAB9ASMN1; SMN2CNR2

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
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 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 (3 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-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPC1 501/4885RAB9A 1180/4885SMN1; SMN2 2626/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPC1 501/4885RAB9A 1180/4885SMN1; SMN2 2626/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 NPC1 691/4885RAB9A 1282/4885SMN1; SMN2 23/4885

“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.