SCHEMBL13131094

SCHEMBL13131094

Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)ccn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRDM9 Q9NQV7 1/20 0.40
▸ PRDM7 Q9NQW5 1/20 0.40
▸ LRRK2 Q5S007 4/20 0.40
▸ TMEM97 Q5BJF2 2/20 0.39
▸ OGA O60502 2/20 0.38
▸ LDHA P00338 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CHRM1 P11229 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ CYP3A4 P08684 1/20 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
SCHEMBL13131064 0.84 OGA (0.42) LRRK2TMEM97OGATSHRCHRM1
SCHEMBL11947863 0.83 AR (0.41) HRH4TSHRCYP1A2CYP2D6CYP2C9
SCHEMBL14996508 0.82 PRDM9 (0.42) PRDM9PRDM7LRRK2TMEM97OGA
SCHEMBL11947818 0.81 CYP2C9 (0.52) TSHRCYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL30306686 0.80 LRRK2 (0.47) LRRK2TMEM97OGATSHRCYP1A2
SCHEMBL13168224 0.78 OGA (0.46) PRDM9PRDM7LRRK2TMEM97OGA
SCHEMBL21186191 0.75 HRH4 (0.50) PRDM9PRDM7LDHAHRH4CHRM1
SCHEMBL2629501 0.75 USP2 (0.51) TSHRCYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL11947815 0.75 CYP2C19 (0.53) TSHRCYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL13131066 0.74 PHGDH (0.43) TSHRCYP1A2CYP2D6CYP2C19CYP2C9

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 4 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
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 PRDM9 2694/4885PRDM7 4132/4885LRRK2 322/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN PRDM9 2694/4885PRDM7 4132/4885LRRK2 322/4885

“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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