SCHEMBL839947

SCHEMBL839947

O=C(O)C(Nc1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CNR2 P34972 1/20 0.48
ACP3 P15309 1/20 0.47
PDE2A O00408 2/20 0.46
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
MMP2 P08253 1/20 0.45
PDPK1 O15530 1/20 0.44
FPR2 P25090 1/20 0.44
EPHX2 P34913 1/20 0.43
TACR1 P25103 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX1 P51575 1/20 0.43
CES2 O00748 1/20 0.42

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
Hydrochloric Acid SCHEMBL2484876 0.98 RAB9A (0.47) RAB9ANPC1CNR2ACP3PDE2A
SCHEMBL11301777 0.86 CA12 (0.45) CA12FPR2EPHX2MEN1MAPT
SCHEMBL840978 0.85 LDHB (0.50) RAB9ANPC1CNR2ACP3PDE2A
SCHEMBL859333 0.84 NR1H4 (0.48) RAB9ANPC1EPHX2MAPT
SCHEMBL2483519 0.82 FPR2 (0.49) CA12CA1FPR2EPHX2MAPT
SCHEMBL146704 0.82 FPR2 (0.49) CA12CA1FPR2EPHX2MAPT
SCHEMBL2483521 0.82 FPR2 (0.49) CA12CA1FPR2EPHX2MAPT
SCHEMBL3963387 0.82 CES2 (0.47) RAB9ANPC1ACP3CA12CA1
SCHEMBL840113 0.82 MAOB (0.48) RAB9ANPC1CNR2ACP3PDE2A
SCHEMBL3971613 0.82 CNR2 (0.44) RAB9ANPC1CNR2ACP3PDE2A

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP claimed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US claimed
EP-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 EP claimed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US claimed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO claimed
WO-2023100719-A1 FULLERENE DERIVATIVE, n-TYPE SEMICONDUCTOR MATERIAL, ORGANIC POWER GENERATION LAYER AND PHOTOELECTRIC CONVERSION ELEMENT 株式会社ハーベス 2023-06-08 WO disclosed
EP-2331498-B1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 EP disclosed
EP-2331499-B1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-09-21 EP disclosed
EP-2331499-B1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-09-21 EP disclosed
US-9096521-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-08-04 US disclosed
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO disclosed
WO-2010021878-A1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 WO disclosed
WO-2010021882-A2 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 WO disclosed
US-20100048619-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20100048619-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 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 (3 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-20100048589-A1 Cold Menthol Receptor Antagonists TRPV1, TRPM2, TRPM6 RAB9A 1607/4885NPC1 1284/4885CNR2 14/4885
US-20100048619-A1 Cold Menthol Receptor Antagonists TRPV1, TRPM2, TRPM5 RAB9A 1852/4885NPC1 1221/4885CNR2 14/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG RAB9A 1349/4885NPC1 3801/4885CNR2 210/4885

“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.