SCHEMBL964050

SCHEMBL964050

Cc1cnc(NC(=O)[C@H]2C[C@@H]3C[C@@H](O)C[C@@H](C3)C2)s1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.63
RAB9A P51151 10/20 0.56
EPHX2 P34913 1/20 0.55
NPC1 O15118 7/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
PKM P14618 3/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL964051 1.00 SMN1; SMN2 (0.63) SMN1; SMN2RAB9AEPHX2NPC1MEN1
Hydrochloric Acid SCHEMBL21640534 0.75 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AEPHX2NPC1MEN1
SCHEMBL3012105 0.74 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AEPHX2NPC1MEN1
SCHEMBL3794688 0.71 RAB9A (0.62) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3009581 0.71 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AEPHX2NPC1MEN1
SCHEMBL2175131 0.70 RAB9A (0.60) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL6474925 0.69 RAB9A (0.58) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL26818237 0.69 RAB9A (0.58) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL21845505 0.68 UCHL1 (0.67) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL17631686 0.68 UCHL1 (0.67) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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 SMN1; SMN2 2626/4885RAB9A 1180/4885EPHX2 398/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 SMN1; SMN2 2626/4885RAB9A 1180/4885EPHX2 398/4885
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 SMN1; SMN2 23/4885RAB9A 1282/4885EPHX2 437/4885

“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.