SCHEMBL12040802

SCHEMBL12040802

CCCCCCCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.61
CCR3 P51677 1/20 0.59
ACHE P22303 8/20 0.59
ABL1 P00519 1/20 0.57
RIN1 Q13671 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
BCHE P06276 3/20 0.55

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
SCHEMBL12044684 1.00 KCNH2 (0.61) KCNH2CCR3ACHEABL1RIN1
SCHEMBL4789907 0.98 CCR3 (0.61) KCNH2CCR3ACHEABL1RIN1
SCHEMBL8908408 0.94 CCR3 (0.63) KCNH2CCR3ACHEABL1RIN1
SCHEMBL4499239 0.92 CCR3 (0.69) CCR3ACHEBCHE
SCHEMBL4499901 0.92 CCR3 (0.69) CCR3ACHEBCHE
SCHEMBL69200 0.87 CCR3 (0.67) CCR3ACHEHRH3BCHE
SCHEMBL3107807 0.87 CCR3 (0.71) CCR3ACHEBCHE
SCHEMBL13596997 0.85 KCNH2 (0.56) KCNH2CCR3ACHEABL1RIN1
SCHEMBL14554030 0.85 CCR3 (0.59) CCR3ACHEBCHE
SCHEMBL13596970 0.85 HRH3 (0.56) KCNH2CCR3ACHEABL1RIN1

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 KCNH2 969/4885CCR3 2850/4885ACHE 1/4885
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS MPO, DHODH, DHX35 KCNH2 1135/4885CCR3 684/4885ACHE 75/4885

“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.