SCHEMBL2617855

SCHEMBL2617855

N#Cc1ccc(N[C@H]2CC[C@H](OCC(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
IDE P14735 1/20 0.48
AR P10275 1/20 0.47
HPGD P15428 1/20 0.46
MCHR1 Q99705 1/20 0.45
DPP4 P27487 2/20 0.43
MAPT P10636 3/20 0.43
TRPV1 Q8NER1 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 5/20 0.42
PKM P14618 1/20 0.42
PANK3 Q9H999 1/20 0.42
HSD11B1 P28845 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL2122662 1.00 SMN1; SMN2 (0.48) SMN1; SMN2IDEARHPGDMCHR1
SCHEMBL2617785 1.00 SMN1; SMN2 (0.48) SMN1; SMN2IDEARHPGDMCHR1
SCHEMBL2121498 0.97 KDM4E (0.47) SMN1; SMN2IDEARHPGDMCHR1
SCHEMBL2617890 0.97 KDM4E (0.47) SMN1; SMN2IDEARHPGDMCHR1
SCHEMBL15177477 0.97 KDM4E (0.47) SMN1; SMN2IDEARHPGDMCHR1
SCHEMBL2617850 0.92 AR (0.56) ARPANK3
SCHEMBL2119362 0.92 AR (0.56) ARPANK3
SCHEMBL2617784 0.92 AR (0.56) ARPANK3
SCHEMBL2617786 0.92 AR (0.47) SMN1; SMN2IDEARMCHR1MAPT
SCHEMBL2121399 0.92 AR (0.47) SMN1; SMN2IDEARMCHR1MAPT

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-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
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
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 SMN1; SMN2 4488/4885IDE 1072/4885AR 4346/4885

“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.