SCHEMBL4487010

SCHEMBL4487010

COc1ccc(SC2CC3CCC(C2)N3C(=O)OCC(Cl)(Cl)Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
CHRM1 P11229 8/20 0.37
CHRM3 P20309 4/20 0.36
CHRM2 P08172 3/20 0.36
LTA4H P09960 1/20 0.35
PDPK1 O15530 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
ELOVL6 Q9H5J4 2/20 0.34
CHRM4 P08173 2/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MDM2 Q00987 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CHRM5 P08912 2/20 0.33

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
SCHEMBL7940656 0.87 CTSS (0.36) CHRM1CHRM3CHRM2CHRM4SMN1; SMN2
SCHEMBL7952076 0.86 CHRM1 (0.41) GRIN1GRIN2BCHRM1CHRM3CHRM2
SCHEMBL7335086 0.86 OPRM1 (0.44) GRIN1GRIN2BCHRM1CHRM3CHRM2
SCHEMBL12355754 0.73 CHRM1 (0.40) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL5635722 0.72 SLC6A3 (0.47) GRIN1GRIN2BCHRM1CHRM3CHRM2
SCHEMBL4475967 0.72 SLC6A3 (0.47) GRIN1GRIN2BCHRM1CHRM3CHRM2
SCHEMBL2190026 0.71 CHRM1 (0.54) CHRM1CHRM3CHRM2CHRM4ALDH1A1
SCHEMBL2190030 0.71 CHRM1 (0.54) CHRM1CHRM3CHRM2CHRM4ALDH1A1
SCHEMBL857819 0.70 CHRM1 (0.38) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL12875929 0.69 CHRM2 (0.47) CHRM1CHRM3CHRM2ALDH1A1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494992-B2 Antiparasitic terpene alkaloids PFIZER INC. (US) 2009-02-24 US disclosed
US-20070185101-A1 Antiparasitic terpene alkaloids PFIZER PRODUCTS INC 2007-08-09 US disclosed
EP-1597264-A2 ANTIPARASITIC TERPENE ALKALOIDS Pfizer Limited (GB) 2005-11-23 EP disclosed
WO-2004072086-A2 ANTIPARASITIC TERPENE ALKALOIDS PFIZER LIMITED (GB) 2004-08-26 WO 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-20070185101-A1 Antiparasitic terpene alkaloids CYP51A1, DHPS, CYP8B1 GRIN1 415/4885GRIN2B 611/4885CHRM1 29/4885

“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.