SCHEMBL13131096

SCHEMBL13131096

CC(C)(C)N1CCC2(CCN(c3ncc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ OGA O60502 6/20 0.39
▸ CXCR3 P49682 1/20 0.38
▸ CYP2D6 P10635 3/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LCAT P04180 1/20 0.34
▸ TIPARP Q7Z3E1 3/20 0.33

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
SCHEMBL17404868 0.89 CYP3A4 (0.36) USP2CYP2C9OGACYP2D6HSD17B10
SCHEMBL14996529 0.84 CYP3A4 (0.43) USP2CYP2C9OGACXCR3CYP2D6
SCHEMBL13131034 0.83 MAPT (0.48) CYP2C9CXCR3CYP2C19CYP1A2SMN1; SMN2
SCHEMBL24827913 0.81 CYP3A4 (0.36) USP2CYP2C9OGACYP2D6CYP2C19
SCHEMBL11947825 0.81 CYP3A4 (0.53) USP2CYP2C9CYP2D6CYP2C19HSD17B10
SCHEMBL13168167 0.80 CYP2C9 (0.39) USP2CYP2C9OGACXCR3CYP2D6
SCHEMBL11947830 0.77 CA12 (0.41) USP2CYP2C9CYP2D6HSD17B10CYP3A4
SCHEMBL17404871 0.76 CYP2D6 (0.42) USP2CYP2C9CYP2D6CYP2C19HSD17B10
SCHEMBL484575 0.76 USP2 (0.52) USP2CYP2C9CYP2D6CYP2C19HSD17B10
SCHEMBL24827851 0.75 HSD17B10 (0.42) USP2CYP2C9CYP2D6CYP2C19HSD17B10

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-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

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 USP2 4864/4885CYP2C9 2259/4885OGA 3406/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN USP2 4864/4885CYP2C9 2259/4885OGA 3406/4885

“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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