SCHEMBL12374976

SCHEMBL12374976

CC(=O)CN1CCC(C(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
EPHX2 P34913 1/20 0.40
LIPA P38571 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 0.34
HTT P42858 2/20 0.34
RECQL P46063 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
GFER P55789 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL12374972 0.89 HSD11B1 (0.38) HSD11B1CYP2D6KCNH2HRH3EPHX2
SCHEMBL12735220 0.86 HTT (0.36) HSD11B1CYP2D6KCNH2MEN1KMT2A
SCHEMBL14436547 0.84 HSD17B10 (0.44) HSD11B1CYP2D6KCNH2HRH3EPHX2
SCHEMBL26138795 0.82 ALDH1A1 (0.45) HSD11B1CYP2D6KCNH2HRH3EPHX2
SCHEMBL18084127 0.82 TERT (0.43) HSD11B1KCNH2HRH3KMT2ANPSR1
SCHEMBL11960577 0.82 KDM4E (0.47) HSD11B1CYP2D6KCNH2HRH3EPHX2
SCHEMBL12384416 0.79 ALDH1A1 (0.46) HSD11B1CYP2D6KCNH2HRH3EPHX2
SCHEMBL11960583 0.79 OPRL1 (0.42) HSD11B1CYP2D6KCNH2HRH3EPHX2
SCHEMBL5464002 0.79 SMN1; SMN2 (0.38) NPSR1HTTRAB9ASMN1; SMN2
SCHEMBL12384815 0.78 GAA (0.53) HSD11B1CYP2D6KCNH2HRH3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2018-05-10 US disclosed
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
US-8426604-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-04-23 US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 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 (3 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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA HSD11B1 504/4885CYP2D6 1894/4885KCNH2 4437/4885
US-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF PDK1, WEE1, DCK HSD11B1 1019/4885CYP2D6 1036/4885KCNH2 992/4885
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG HSD11B1 990/4885CYP2D6 2109/4885KCNH2 4494/4885

“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.