SCHEMBL964513

SCHEMBL964513

CCCCn1cc(C)sc1=N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
TYR P14679 1/20 0.38
LMNA P02545 4/20 0.34
NPC1 O15118 6/20 0.32
RAB9A P51151 6/20 0.32
HTT P42858 5/20 0.32
APOBEC3A P31941 2/20 0.32
APOBEC3G Q9HC16 2/20 0.32
PABPC1 P11940 1/20 0.32
GALR3 O60755 2/20 0.31
ATM Q13315 2/20 0.31
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
RAD52 P43351 1/20 0.31

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
SCHEMBL345139 0.79 NPC1 (0.32) POLBALDH1A1LMNANPC1RAB9A
SCHEMBL945030 0.77 CNR2 (0.36) POLBALDH1A1KMT2ATYR
SCHEMBL964484 0.76 MEN1 (0.36) ALDH1A1KMT2A
Iodide SCHEMBL946192 0.75 CNR2 (0.36) POLBALDH1A1KMT2ATYRLMNA
SCHEMBL8829720 0.72 ALDH1A1 (0.40) POLBALDH1A1KMT2ATYRLMNA
SCHEMBL8829719 0.72 ALDH1A1 (0.40) POLBALDH1A1KMT2ATYRLMNA
SCHEMBL13044923 0.71 MEN1 (0.36) POLBKMT2AHTT
SCHEMBL961812 0.70 XDH (0.33)
SCHEMBL3387280 0.67 CNR2 (0.39)
SCHEMBL8829688 0.67 MAPT (0.44) POLBALDH1A1KMT2ANPC1RAB9A

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 7 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
CN-101448800-A Novel compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB (US) 2009-06-03 CN 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 POLB 4792/4885ALDH1A1 1171/4885KMT2A 2140/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 POLB 4792/4885ALDH1A1 1171/4885KMT2A 2140/4885
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 POLB 4650/4885ALDH1A1 81/4885KMT2A 2711/4885

“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.