SCHEMBL2617786

SCHEMBL2617786

N#Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cn4)CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.47
MCHR1 Q99705 1/20 0.41
P2RY12 Q9H244 1/20 0.40
AOC3 Q16853 1/20 0.39
IDE P14735 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 3/20 0.39
PANK3 Q9H999 1/20 0.38
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 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
SCHEMBL2617854 1.00 AR (0.47) ARMCHR1P2RY12AOC3IDE
SCHEMBL2121399 1.00 AR (0.47) ARMCHR1P2RY12AOC3IDE
SCHEMBL2119362 0.92 AR (0.56) ARPANK3
SCHEMBL2617855 0.92 SMN1; SMN2 (0.48) ARMCHR1IDESMN1; SMN2TRPV1
SCHEMBL2122662 0.92 SMN1; SMN2 (0.48) ARMCHR1IDESMN1; SMN2TRPV1
SCHEMBL2617784 0.92 AR (0.56) ARPANK3
SCHEMBL2617785 0.92 SMN1; SMN2 (0.48) ARMCHR1IDESMN1; SMN2TRPV1
SCHEMBL2617850 0.92 AR (0.56) ARPANK3
SCHEMBL2617819 0.91 AR (0.43) ARP2RY12AOC3TRPV1TRPA1
SCHEMBL2119055 0.91 AR (0.43) ARP2RY12AOC3TRPV1TRPA1

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 4346/4885MCHR1 2565/4885P2RY12 869/4885

“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.