SCHEMBL12040680

SCHEMBL12040680

CCC1CCN(CCCCCCc2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.73
CCR3 P51677 2/20 0.73
KCNH2 Q12809 1/20 0.65
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 1/20 0.64
HRH3 Q9Y5N1 3/20 0.61

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
SCHEMBL24762108 0.94 SIGMAR1 (0.68) SIGMAR1CCR3KCNH2MEN1TP53
SCHEMBL12424500 0.87 CCR3 (0.73) CCR3CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL8091672 0.86 SIGMAR1 (0.97) SIGMAR1CCR3KCNH2MEN1TP53
SCHEMBL12041264 0.86 KCNH2 (0.81) SIGMAR1CCR3KCNH2HRH3
SCHEMBL7444256 0.84 SIGMAR1 (0.72) SIGMAR1CCR3KCNH2MEN1TP53
SCHEMBL7374609 0.84 SIGMAR1 (1.00) SIGMAR1CCR3KCNH2MEN1TP53
SCHEMBL7444410 0.84 SIGMAR1 (0.72) SIGMAR1CCR3KCNH2MEN1TP53
SCHEMBL7437079 0.84 SIGMAR1 (0.72) SIGMAR1CCR3KCNH2MEN1TP53
SCHEMBL7446629 0.84 SIGMAR1 (0.72) SIGMAR1CCR3KCNH2MEN1TP53
SCHEMBL7449513 0.84 SIGMAR1 (0.72) SIGMAR1CCR3KCNH2MEN1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS INTERVET INC. (US) 2017-07-13 US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 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 (2 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 SIGMAR1 4049/4885CCR3 2850/4885KCNH2 969/4885
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS MPO, DHODH, DHX35 SIGMAR1 4211/4885CCR3 684/4885KCNH2 1135/4885

“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.