SCHEMBL2617818

SCHEMBL2617818

N#Cc1ccc(NC2CCC(OCC(=S)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 3/20 0.41
TRPV1 Q8NER1 2/20 0.39
IDE P14735 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
PHGDH O43175 1/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD11B1 P28845 1/20 0.38
DPP4 P27487 1/20 0.38
PKM P14618 1/20 0.38
PANK3 Q9H999 1/20 0.38
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2120861 1.00 AR (0.44) ARSMN1; SMN2HPGDMAPTTRPV1
SCHEMBL2617881 1.00 AR (0.44) ARSMN1; SMN2HPGDMAPTTRPV1
SCHEMBL2120737 0.92 AR (0.52) ARPANK3TRPA1
SCHEMBL2617885 0.92 AR (0.52) ARPANK3TRPA1
SCHEMBL2617817 0.92 AR (0.52) ARPANK3TRPA1
SCHEMBL2617819 0.92 AR (0.43) ARTRPV1TRPA1
SCHEMBL2617876 0.92 AR (0.43) ARTRPV1TRPA1
SCHEMBL2119055 0.92 AR (0.43) ARTRPV1TRPA1
SCHEMBL2630690 0.92 AR (0.43) ARMAPTTRPA1
SCHEMBL2617855 0.91 SMN1; SMN2 (0.48) ARSMN1; SMN2HPGDMAPTTRPV1

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-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 AR 4346/4885SMN1; SMN2 4488/4885HPGD 445/4885

“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.