SCHEMBL13131097

SCHEMBL13131097

CC(C)(C)N1CCCC2(CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 7/20 0.54
▸ CYP2D6 P10635 7/20 0.54
▸ CYP2C19 P33261 6/20 0.54
▸ TSHR P16473 5/20 0.54
▸ CYP1A2 P05177 4/20 0.54
▸ CYP3A4 P08684 11/20 0.50
▸ HIF1A Q16665 3/20 0.50
▸ MAPK1 P28482 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CHKA P35790 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL11947859 0.94 CYP2D6 (0.59) CYP2C9CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL11947815 0.90 CYP2C19 (0.53) CYP2C9CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL11947860 0.87 CYP2C9 (0.64) CYP2C9CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL11947816 0.86 CYP3A4 (0.61) CYP2C9CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL11947824 0.85 CYP2C9 (0.53) CYP2C9CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL11947818 0.85 CYP2C9 (0.52) CYP2C9CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL13131024 0.83 CYP2C9 (0.54) CYP2C9CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL11947832 0.83 CYP2C9 (0.59) CYP2C9CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL11947861 0.81 CYP3A4 (0.59) CYP2C9CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL25876537 0.81 CYP2C9 (0.61) CYP2C9CYP2D6CYP2C19TSHRCYP1A2

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-8748070-B2 Thiol group-containing charge transporting material, thiol group-containing charge transporting material-dissolving solution, photoelectric conversion device, electrophotographic photoreceptor, image forming apparatus, and process cartridge FUJI XEROX CO., LTD. (JP) 2014-06-10 — — US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN CYP2C9 2259/4885CYP2D6 1926/4885CYP2C19 2325/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2C9 2259/4885CYP2D6 1926/4885CYP2C19 2325/4885

“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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