SCHEMBL10168030

SCHEMBL10168030

CC(C)(C)OC(=O)N1CCN(c2nnc(C(C)(C)C)[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.45
▸ SMARCA2 P51531 1/20 0.44
▸ SMARCA4 P51532 1/20 0.44
▸ PBRM1 Q86U86 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ GPR119 Q8TDV5 4/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ POLB P06746 1/20 0.39

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
SCHEMBL14164238 0.82 KCNH2 (0.44) KCNH2SMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL2146977 0.80 KCNH2 (0.45) KCNH2SMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL389759 0.74 ACHE (0.49) ALDH1A1LMNAMAPTKITCKS1B
SCHEMBL698803 0.73 USP2 (0.69) ALDH1A1LMNAMAPTUSP2SMN1; SMN2
SCHEMBL18294 0.73 USP2 (0.69) ALDH1A1LMNAMAPTUSP2SMN1; SMN2
SCHEMBL10297496 0.72 GPR119 (0.55) ALDH1A1LMNAMAPTUSP2SMN1; SMN2
SCHEMBL16825695 0.71 MAP4K4 (0.46) KCNH2SMARCA2SMARCA4PBRM1ALDH1A1
SCHEMBL16196931 0.70 GPR119 (0.47) SMARCA2SMARCA4PBRM1ALDH1A1LMNA
SCHEMBL28101296 0.70 CKS1B (0.50) SMARCA2SMARCA4PBRM1ALDH1A1LMNA
SCHEMBL20767890 0.70 NAMPT (0.64) KCNH2LMNAMAPTNAMPTCKS1B

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-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 — — US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 — — US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 — — US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 — — 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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C KCNH2 143/4885SMARCA2 4128/4885SMARCA4 4208/4885

“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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