SCHEMBL3428680

SCHEMBL3428680

O=C1CN(C(=O)OCc2ccccc2)Cc2cc(F)c(F)cc2N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ TMEM97 Q5BJF2 6/20 0.47
▸ SIGMAR1 Q99720 6/20 0.47
▸ HRH1 P35367 3/20 0.47
▸ HRH3 Q9Y5N1 3/20 0.47
▸ HTR1A P08908 2/20 0.47
▸ ADRA2C P18825 2/20 0.47
▸ HRH2 P25021 2/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ HTR1B P28222 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR1E P28566 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47

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
SCHEMBL2062092 0.83 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL3759234 0.82 DPP4 (0.44) SMN1; SMN2GAAMAPK1DPP4
SCHEMBL2061081 0.81 NPC1 (0.52) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL2061335 0.80 NPC1 (0.50) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL2061088 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL1252035 0.76 NPC1 (0.46) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL324086 0.76 TMEM97 (0.64) NPC1RAB9ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL19260460 0.76 TMEM97 (0.48) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL31276535 0.73 TMEM97 (0.56) NPC1RAB9ASMN1; SMN2GAAMAPK1
SCHEMBL1488412 0.73 KMT2A (0.60) NPC1RAB9ASMN1; SMN2GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 — — EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 — — US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 — — US disclosed
EP-2250157-A1 NOVEL HETEROCYCLIC COMPOUNDS Panacea Biotec Limited (IN) 2010-11-17 — — EP disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 — — 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 NPC1 663/4885RAB9A 2584/4885SMN1; SMN2 3291/4885

“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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