SCHEMBL1006904

SCHEMBL1006904

O=C(Nc1nc2c(s1)CCC2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.51
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
NTSR1 P30989 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
MAPT P10636 5/20 0.48
NFKB1 P19838 4/20 0.48
NFKB2 Q00653 4/20 0.48

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
SCHEMBL1002723 0.87 CNR1 (0.52) TSHRCNR1CNR2NPC1RAB9A
SCHEMBL13278295 0.76 TSHR (0.64) TSHRNPC1RAB9AMAPTNFKB1
SCHEMBL966966 0.74 CNR2 (0.60) CNR1CNR2NPC1RAB9ANTSR1
SCHEMBL7955024 0.74 TSHR (0.67) TSHRNPC1RAB9AMAPTNFKB1
SCHEMBL13035816 0.74 TSHR (0.67) TSHRNPC1RAB9AMAPTNFKB1
SCHEMBL659214 0.74 TSHR (0.71) TSHRNPC1RAB9AMAPTNFKB1
SCHEMBL11220484 0.73 TSHR (0.65) TSHRNPC1RAB9AMAPTNFKB1
SCHEMBL11924524 0.72 TSHR (0.63) TSHRNPC1RAB9AMAPTNFKB1
Potassium Ion SCHEMBL11217723 0.72 TSHR (0.63) TSHRNPC1RAB9AMAPTNFKB1
SCHEMBL3591075 0.71 CNR2 (0.56) TSHRCNR1CNR2NPC1RAB9A

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-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

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-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 TSHR 459/4885CNR1 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.