SCHEMBL16708787

SCHEMBL16708787

CC(C)C(C)(C)C(=O)N1CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
FASN P49327 1/20 0.36
PIK3CD O00329 2/20 0.34
POLB P06746 1/20 0.33
RIPK1 Q13546 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL5520141 0.91 PIK3CD (0.47) HRH3MEN1KMT2APIK3CDSMN1; SMN2
SCHEMBL5518844 0.91 CYP1A2 (0.46) CYP1A2TDP1HTTALDH1A1
SCHEMBL16708790 0.91 RIPK1 (0.38) HRH3MEN1KMT2ARIPK1SMN1; SMN2
SCHEMBL5519580 0.89 CHRNB2 (0.37) HRH3MEN1KMT2ASMN1; SMN2HTT
SCHEMBL25443823 0.89 HRH3 (0.51) HRH3MEN1KMT2ACYP2D6KCNH2
SCHEMBL18907823 0.89 ALDH1A1 (0.41) MEN1KMT2ARIPK1SMN1; SMN2CYP1A2
SCHEMBL5518585 0.86 USP2 (0.53) HRH3MEN1KMT2APOLBSMN1; SMN2
SCHEMBL14433020 0.85 SMN1; SMN2 (0.52) MEN1KMT2APOLBSMN1; SMN2USP2
SCHEMBL5511939 0.84 SMN1; SMN2 (0.51) CYP2D6POLBSMN1; SMN2USP2CYP1A2
SCHEMBL5518586 0.84 MEN1 (0.47) MEN1KMT2ACYP2D6POLBTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273058-B2 Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 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-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 HRH3 3543/4885MEN1 4028/4885KMT2A 1919/4885

“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.