SCHEMBL13131049

SCHEMBL13131049

CC(C)(C)N1CCC2(CCN(c3ccc(C#N)cc3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ CHRNA10 Q9GZZ6 1/20 0.43
▸ CHRNA9 Q9UGM1 1/20 0.43
▸ TSHR P16473 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ KCNJ1 P48048 1/20 0.38
▸ CYP2D6 P10635 3/20 0.37
▸ AR P10275 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL14996528 0.81 KCNH2 (0.51) KDM4ETP53KCNH2CHRNA10CHRNA9
SCHEMBL11947821 0.81 HTR3E (0.42) KDM4ESMN1; SMN2AR
SCHEMBL11947827 0.81 ALDH1A1 (0.42) KDM4ETP53TSHRSMN1; SMN2NPSR1
SCHEMBL2629501 0.80 USP2 (0.51) TP53KCNH2TSHRSMN1; SMN2CYP2D6
SCHEMBL12631525 0.80 KDM4E (0.61) KDM4ETP53CHRNA10CHRNA9CHEK1
SCHEMBL13131047 0.78 HTR3E (0.47) KDM4ETP53TSHRSMN1; SMN2CYP2D6
SCHEMBL11947830 0.78 CA12 (0.41) TSHRCYP2D6HTR7USP2
SCHEMBL13168747 0.78 KCNH2 (0.58) KDM4ETP53KCNH2CHRNA10CHRNA9
SCHEMBL11947818 0.78 CYP2C9 (0.52) TSHRSMN1; SMN2CYP2D6
SCHEMBL250799 0.75 KDM4E (0.58) KDM4ETP53KCNH2CHRNA10CHRNA9

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 KDM4E 2721/4885TP53 3866/4885KCNH2 257/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN KDM4E 2721/4885TP53 3866/4885KCNH2 257/4885

“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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