SCHEMBL14946756

SCHEMBL14946756

C#Cc1ccc(C(C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
TSHR P16473 1/20 0.34
KIF11 P52732 3/20 0.33
RAB9A P51151 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TYR P14679 1/20 0.33
DGAT1 O75907 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23417029 0.85 KIF11 (0.47) GRM5TSHRKIF11RAB9ADGAT1
SCHEMBL1566156 0.84 GRM5 (0.37) GRM5
SCHEMBL4365411 0.79 TSHR (0.34) TSHRKIF11RAB9ALMNAPOLB
SCHEMBL2739660 0.79 KIF11 (0.44) TSHRKIF11RAB9ALMNAPOLB
SCHEMBL14973267 0.79 KMT2A (0.43) GRM5TSHRKIF11RAB9ALMNA
SCHEMBL14946755 0.76 ALDH1A1 (0.39) GRM5LMNATYRDGAT1ALDH1A1
SCHEMBL16804163 0.73 ACACB (0.33) GRM5TSHRRAB9ALMNAPOLB
SCHEMBL25486882 0.73 TTBK1 (0.38) LMNAATML3MBTL1TYR
SCHEMBL2721164 0.71
SCHEMBL11947341 0.71 CYP2A6 (0.41) GRM5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321056-A1 Methods for Treating Metastasis with Cathepsin C Inhibitors Shanghai Institute of nutrition and health, Chinese Academy of Sciences (CN) 2023-10-12 US disclosed
US-11667615-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-11667615-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-11655224-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-05-23 US disclosed
US-20210238152-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2021-08-05 US disclosed
US-8507481-B2 Benzoxazine oxazolidinone compounds, preparation methods and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-08-13 US disclosed
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF NANJING CHANGAO PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2013-05-16 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 (5 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-20230321056-A1 Methods for Treating Metastasis with Cathepsin C Inhibitors MMP8, CTSS, CTSF GRM5 4327/4885TSHR 3924/4885KIF11 1604/4885
US-11655224-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 GRM5 3087/4885TSHR 4180/4885KIF11 4444/4885
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF XDH, OXA1L, CYP3A5 GRM5 672/4885TSHR 3968/4885KIF11 2879/4885
US-11667615-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 GRM5 3057/4885TSHR 4207/4885KIF11 4441/4885
US-20210238152-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 GRM5 3087/4885TSHR 4180/4885KIF11 4444/4885

“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.