SCHEMBL13545145

SCHEMBL13545145

CCC(=O)c1cc(C(C)(C)C)nn1C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.67
SORT1 Q99523 5/20 0.67
KDM4E B2RXH2 1/20 0.67
MAPT P10636 2/20 0.47
MAPK14 Q16539 3/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
GALR3 O60755 2/20 0.44
RAB9A P51151 1/20 0.44
CTSL P07711 2/20 0.43
AAK1 Q2M2I8 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL350610 0.86 GRN (0.67) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL352154 0.86 GRN (0.67) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL10146249 0.85 GRN (0.65) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL19902317 0.85 ALDH1A1 (0.50) GRNSORT1KDM4ERAB9ACTSL
SCHEMBL8260077 0.80 GRN (0.73) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL1572486 0.80 GRN (1.00) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL2449044 0.79 KDM4E (0.61) GRNSORT1KDM4EMAPTMAPK14
SCHEMBL13753933 0.79 KDM4E (0.61) GRNSORT1KDM4EMAPK14CNR1
SCHEMBL350765 0.79 GRN (0.71) GRNSORT1KDM4EMAPTMAPK14
Hydrochloric Acid SCHEMBL8760885 0.79 GRN (0.96) GRNSORT1KDM4EMAPTMAPK14

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-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 GRN 3189/4885SORT1 1597/4885KDM4E 4675/4885
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 GRN 3122/4885SORT1 1768/4885KDM4E 3912/4885

“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.