SCHEMBL11947818

SCHEMBL11947818

CC(C)(C)N1CCC2(CCN(c3ccncc3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 8/20 0.52
▸ CYP2C19 P33261 7/20 0.52
▸ TSHR P16473 4/20 0.52
▸ CYP2D6 P10635 4/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ HIF1A Q16665 4/20 0.49
▸ CYP3A4 P08684 8/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CHKA P35790 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ ITGB3 P05106 2/20 0.45
▸ ITGA2B P08514 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL11947815 0.93 CYP2C19 (0.53) CYP2C9CYP2C19TSHRCYP2D6CYP1A2
SCHEMBL11947838 0.92 CYP3A4 (0.54) CYP2C9CYP2C19TSHRCYP2D6CYP1A2
SCHEMBL13131024 0.92 CYP2C9 (0.54) CYP2C9CYP2C19TSHRCYP2D6CYP1A2
SCHEMBL11947824 0.91 CYP2C9 (0.53) CYP2C9CYP2C19TSHRCYP2D6CYP1A2
SCHEMBL11947859 0.90 CYP2D6 (0.59) CYP2C9CYP2C19TSHRCYP2D6CYP1A2
SCHEMBL13168230 0.87 CYP3A4 (0.49) CYP2C9CYP2C19TSHRCYP2D6CYP1A2
SCHEMBL11947832 0.85 CYP2C9 (0.59) CYP2C9CYP2C19TSHRCYP2D6CYP1A2
SCHEMBL11947816 0.85 CYP3A4 (0.61) CYP2C9CYP2C19TSHRCYP2D6CYP1A2
SCHEMBL13131097 0.85 CYP2C9 (0.54) CYP2C9CYP2C19TSHRCYP2D6CYP1A2
SCHEMBL2629501 0.84 USP2 (0.51) CYP2C9CYP2C19TSHRCYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 — — US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 — — 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 (3 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 2259/4885CYP2C19 2325/4885TSHR 338/4885
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 CYP2C9 362/4885CYP2C19 247/4885TSHR 1370/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2C9 2259/4885CYP2C19 2325/4885TSHR 338/4885

“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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