SCHEMBL17471127

SCHEMBL17471127

CN1CCC(CCNC(=O)N2CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 4/20 0.45
▸ TPSD1 Q9BZJ3 3/20 0.45
▸ TPSG1 Q9NRR2 3/20 0.45
▸ CHRM4 P08173 9/20 0.44
▸ GNAI3 P08754 1/20 0.41
▸ GNAO1 P09471 1/20 0.41
▸ GNAI1 P63096 1/20 0.41
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ F2R P25116 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39

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
SCHEMBL17471119 0.87 EPHX2 (0.42) TPSAB1TPSD1TPSG1GNAI3GNAO1
SCHEMBL19884753 0.85 TPSAB1 (0.46) TPSAB1TPSD1TPSG1CHRM4GNAI3
SCHEMBL17471129 0.83 HDAC2 (0.42) CYP2D6KCNH2HRH3
SCHEMBL7447536 0.82 TPSAB1 (0.46) TPSAB1TPSD1TPSG1CHRM4ITGB3
SCHEMBL17471820 0.80 CYP2C19 (0.50) CYP2D6KCNH2HRH3
SCHEMBL13225898 0.77 KMT2A (0.62) CYP2D6KCNH2HRH3
SCHEMBL17471132 0.77 NAMPT (0.43) TPSAB1TPSD1TPSG1CYP2D6KCNH2
SCHEMBL17471120 0.76 EPHX2 (0.55) CYP2D6KCNH2HRH3
SCHEMBL25570284 0.76 GNAI3 (0.48) TPSAB1TPSD1TPSG1GNAI3GNAO1
SCHEMBL17471822 0.75 LMNA (0.43) TPSAB1TPSD1TPSG1CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580415-B2 Compounds PROXIMAGEN LIMITED (GB) 2017-02-28 — — US disclosed
US-9580415-B2 Compounds PROXIMAGEN LIMITED (GB) 2017-02-28 — — US disclosed
US-20160024080-A1 NEW COMPOUNDS PROXIMAGEN, LLC 2016-01-28 — — US disclosed
US-20160024080-A1 NEW COMPOUNDS PROXIMAGEN, LLC 2016-01-28 — — 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-20160024080-A1 NEW COMPOUNDS QSOX1, MAOB, MAOA TPSAB1 27/4885TPSD1 79/4885TPSG1 57/4885

“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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