SCHEMBL13168755

SCHEMBL13168755

CCN1CCC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.41
▸ PARP1 P09874 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ TSHR P16473 4/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ HIF1A Q16665 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ RXRA P19793 2/20 0.38
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ OGA O60502 2/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ CYP2C9 P11712 2/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ ACACB O00763 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
SCHEMBL14996495 0.84 AR (0.43) ARPARP1TSHRCYP3A4HIF1A
SCHEMBL13168224 0.82 OGA (0.46) TSHRCYP2D6CYP1A2OGACYP2C9
SCHEMBL11947863 0.81 AR (0.41) ARPARP1TSHRCYP3A4HIF1A
SCHEMBL30328006 0.78 CYP2D6 (0.51) ARPARP1TSHRCYP3A4HIF1A
SCHEMBL12944876 0.77 CYP2C9 (0.52) TSHRCYP3A4HIF1ACYP2D6CYP1A2
SCHEMBL484906 0.77 CYP3A4 (0.50) PARP1TSHRCYP3A4HIF1ACYP2D6
SCHEMBL11955829 0.77 CA12 (0.43) TSHRCYP3A4HIF1ACYP2D6CYP1A2
Hydrochloric Acid SCHEMBL30327806 0.77 CYP2D6 (0.50) ARPARP1TSHRCYP3A4HIF1A
Hydrochloric Acid SCHEMBL30328967 0.76 CYP2D6 (0.49) ARPARP1TSHRCYP3A4HIF1A
SCHEMBL13168259 0.76 HRH3 (0.40) NPY2RTSHRCYP3A4CYP2D6CYP1A2

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 AR 219/4885PARP1 1255/4885SYK 745/4885

“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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