SCHEMBL13168167

SCHEMBL13168167

CCN1CCC2(CCN(c3ncc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.39
▸ USP2 O75604 3/20 0.39
▸ CXCR3 P49682 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ OGA O60502 6/20 0.38
▸ CYP2D6 P10635 6/20 0.36
▸ TSHR P16473 5/20 0.36
▸ CYP2C19 P33261 4/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP3A4 P08684 6/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35

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
SCHEMBL13168260 0.83 SMN1; SMN2 (0.51) CYP2C9CXCR3CYP2C19CYP1A2HPGD
SCHEMBL14996529 0.83 CYP3A4 (0.43) CYP2C9USP2CXCR3PPARGPPARD
SCHEMBL26125332 0.82 KCNH2 (0.46) CYP2C9USP2PPARGPPARDPPARA
SCHEMBL26127806 0.81 SMN1; SMN2 (0.43) CYP2C9USP2PPARGPPARDPPARA
SCHEMBL30286314 0.81 PARP1 (0.44) CYP2C9USP2PPARGPPARDPPARA
SCHEMBL11956175 0.80 CYP2D6 (0.53) CYP2C9USP2CYP2D6TSHRCYP2C19
SCHEMBL13131096 0.80 USP2 (0.40) CYP2C9USP2CXCR3PPARGPPARD
SCHEMBL26126183 0.79 PPARG (0.41) CYP2C9USP2PPARGPPARDPPARA
SCHEMBL11955829 0.78 CA12 (0.43) PPARDPPARACYP2D6TSHRCYP3A4
SCHEMBL484575 0.75 USP2 (0.52) CYP2C9USP2CYP2D6TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2C9 2259/4885USP2 4864/4885CXCR3 168/4885

“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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