SCHEMBL12041166

SCHEMBL12041166

CCCCCCC1CCN(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.54
▸ GRM2 Q14416 4/20 0.49
▸ KCNH2 Q12809 2/20 0.49
▸ DRD2 P14416 3/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ CHRNA7 P36544 2/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ DRD3 P35462 2/20 0.45
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ MBTD1 Q05BQ5 1/20 0.44
▸ L3MBTL3 Q96JM7 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ DRD4 P21917 1/20 0.43

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
SCHEMBL12041041 1.00 DPP4 (0.54) DPP4GRM2KCNH2DRD2SIGMAR1
SCHEMBL19820168 0.98 DPP4 (0.55) DPP4GRM2KCNH2DRD2SIGMAR1
SCHEMBL15037944 0.93 DPP4 (0.60) DPP4GRM2KCNH2DRD2SIGMAR1
SCHEMBL12041249 0.81 CHRNA7 (0.59) KCNH2DRD2SIGMAR1CHRNA7HRH3
SCHEMBL2095327 0.80 SLC6A2 (0.47) DPP4KCNH2DRD2CHRNA7HRH3
SCHEMBL3389633 0.80 CYP2D6 (0.56) DPP4KCNH2DRD2HRH3DRD3
SCHEMBL12041222 0.80 MAPT (0.48) KCNH2SIGMAR1HRH3SLC6A2SLC6A4
SCHEMBL16202806 0.79 MAPT (0.48) DPP4DRD2CHRNA7HRH3DRD3
SCHEMBL424881 0.79 CHRNA7 (0.55) DPP4DRD2SIGMAR1CHRNA7HRH3
SCHEMBL12040802 0.78 KCNH2 (0.61) KCNH2HRH3

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 DPP4 129/4885GRM2 4124/4885KCNH2 969/4885
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS MPO, DHODH, DHX35 DPP4 42/4885GRM2 4243/4885KCNH2 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.

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