SCHEMBL382502

SCHEMBL382502

O=C(O)CCN1CCC(c2ccc(C(F)(F)F)cc2)CC1.[LiH]

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.53
SIGMAR1 Q99720 1/20 0.52
P2RY14 Q15391 4/20 0.50
CHRM2 P08172 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
DRD2 P14416 3/20 0.46
DRD4 P21917 1/20 0.46
GRM2 Q14416 1/20 0.46
S1PR3 Q99500 1/20 0.46
CCR2 P41597 4/20 0.46
PRCP P42785 2/20 0.46
SLC18A3 Q16572 1/20 0.46

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
SCHEMBL12041500 0.99 S1PR1 (0.54) S1PR1SIGMAR1P2RY14CHRM2CHRM5
Lithium Ion SCHEMBL9983403 0.85 P2RY14 (0.49) SIGMAR1P2RY14CHRM2CHRM5CHRM1
SCHEMBL12041495 0.83 SMN1; SMN2 (0.49) SIGMAR1P2RY14CHRM2CHRM5CHRM1
Hydrochloric Acid SCHEMBL9811466 0.82 DRD2 (0.61) S1PR1SIGMAR1DRD2CCR2PRCP
SCHEMBL18937182 0.81 SIGMAR1 (0.58) S1PR1SIGMAR1DRD2PRCPSLC18A3
SCHEMBL7722733 0.81 SIGMAR1 (0.75) S1PR1SIGMAR1DRD2PRCPSLC18A3
SCHEMBL2114040 0.80 DRD2 (0.65) S1PR1SIGMAR1DRD2DRD4PRCP
Hydrochloric Acid SCHEMBL9814429 0.80 SIGMAR1 (0.73) S1PR1SIGMAR1DRD2PRCPSLC18A3
Hydrochloric Acid SCHEMBL9811451 0.79 S1PR1 (0.56) S1PR1SIGMAR1DRD2DRD4PRCP
Hydrochloric Acid SCHEMBL9811517 0.79 DRD2 (0.63) S1PR1SIGMAR1DRD2DRD4PRCP

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
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO S1PR1 3832/4885SIGMAR1 4049/4885P2RY14 325/4885

“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.