SCHEMBL3386154

SCHEMBL3386154

COCCn1/c(=N/C(=O)C2C(C)(C)C2(C)C)sc2cc(F)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.64
CNR1 P21554 2/20 0.58
CNR2 P34972 2/20 0.58
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 6/20 0.49
HPGD P15428 7/20 0.47
KDM4E B2RXH2 7/20 0.46
TSHR P16473 2/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 3/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
XBP1 P17861 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL5127454 1.00 NPSR1 (0.64) NPSR1CNR1CNR2KMT2AALDH1A1
SCHEMBL3386158 1.00 NPSR1 (0.64) NPSR1CNR1CNR2KMT2AALDH1A1
SCHEMBL3384497 0.85 CNR1 (0.63) NPSR1CNR1CNR2KMT2AALDH1A1
SCHEMBL3384499 0.85 CNR1 (0.63) NPSR1CNR1CNR2KMT2AALDH1A1
SCHEMBL3380941 0.79 NPSR1 (0.67) NPSR1KMT2AALDH1A1HPGDKDM4E
SCHEMBL3380933 0.79 NPSR1 (0.67) NPSR1KMT2AALDH1A1HPGDKDM4E
SCHEMBL3384875 0.79 CNR2 (0.55) NPSR1CNR1CNR2KMT2AALDH1A1
SCHEMBL3384878 0.79 CNR2 (0.55) NPSR1CNR1CNR2KMT2AALDH1A1
SCHEMBL3387553 0.78 NPSR1 (0.63) NPSR1KMT2AALDH1A1HPGDKDM4E
SCHEMBL3387559 0.78 NPSR1 (0.63) NPSR1KMT2AALDH1A1HPGDKDM4E

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 2 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 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 (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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPSR1 4/4885CNR1 1/4885CNR2 2/4885

“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.