SCHEMBL13131064

SCHEMBL13131064

Cc1cc(N2CCC3(CC2)CCN(C(C)(C)C)C3)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 8/20 0.42
▸ LRRK2 Q5S007 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.35
▸ KCNQ2 O43526 1/20 0.34
▸ RBP4 P02753 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ OPRM1 P35372 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
SCHEMBL13131094 0.84 PRDM9 (0.40) OGALRRK2TMEM97TSHRCHRM1
SCHEMBL14996505 0.81 OGA (0.43) OGALRRK2TMEM97FFAR4KDM4E
SCHEMBL19012770 0.80 KMT2A (0.41) KDM4ELMNAMAPTTSHRMAPK1
SCHEMBL11947818 0.78 CYP2C9 (0.52) TSHRMAPK1HSD17B10MEN1KMT2A
SCHEMBL2629501 0.78 USP2 (0.51) TSHRMAPK1HSD17B10MEN1KMT2A
SCHEMBL13168164 0.77 OGA (0.52) OGALRRK2TMEM97FFAR4TSHR
SCHEMBL11947827 0.75 ALDH1A1 (0.42) KDM4ELMNAMAPTTSHRMAPK1
SCHEMBL11947821 0.75 HTR3E (0.42) KDM4ELMNAMEN1KMT2A
SCHEMBL13131066 0.74 PHGDH (0.43) TSHRMAPK1CYP11B2CYP11B1
SCHEMBL11947823 0.74 CHRNB2 (0.50) —

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 OGA 3406/4885LRRK2 322/4885TMEM97 1662/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN OGA 3406/4885LRRK2 322/4885TMEM97 1662/4885

“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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