SCHEMBL3740216

SCHEMBL3740216

CC(COC(=O)N1CCC(n2c(=O)n(C(=O)OC(C)(C)C)c3ccccc32)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.41
▸ STS P08842 1/20 0.39
▸ CHRM2 P08172 2/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OGFRL1 Q5TC84 1/20 0.37
▸ PTPRB P23467 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ HTR4 Q13639 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3740215 1.00 JAK2 (0.43) JAK2JAK1GPR119STSCHRM2
SCHEMBL3746311 0.91 CHRM2 (0.39) JAK2JAK1CHRM2CHRM4CHRM1
SCHEMBL3746315 0.91 CHRM2 (0.39) JAK2JAK1CHRM2CHRM4CHRM1
SCHEMBL3749221 0.90 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL3631866 0.90 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL1835651 0.88 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL1835653 0.88 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL13980437 0.86 CYP3A4 (0.47) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL3637418 0.86 CYP3A4 (0.47) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL13980457 0.84 JAK2 (0.44) JAK2JAK1GPR119STSCHRM2

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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 — — US claimed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 — — EP claimed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 — — US disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 — — EP 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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 JAK2 2665/4885JAK1 2313/4885GPR119 3309/4885

“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.

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