SCHEMBL10165565

SCHEMBL10165565

CC(C)(C)C(=O)Cn1ccc2ccc(C(C)(F)F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.44
HTR7 P34969 1/20 0.40
MCL1 Q07820 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KMO O15229 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
APOBEC3A P31941 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL10165545 0.80 KMO (0.57) GRIN2BHTR7MCL1KMOALDH1A1
SCHEMBL10165374 0.78 MTNR1A (0.57) HTR7MCL1MTNR1AMTNR1BALDH1A1
SCHEMBL16234645 0.77 HTR7 (0.50) GRIN2BHTR7MCL1MTNR1AMTNR1B
SCHEMBL1576396 0.75 KMT2A (0.55) HTR7MCL1KMOKMT2APPARD
SCHEMBL12277160 0.75 KMT2A (0.55) MCL1KMOEPHX2NR1H4ALDH1A1
SCHEMBL10165538 0.75 GRIN2B (0.55) GRIN2BKDM4E
SCHEMBL14876288 0.74 HTR7 (0.47) HTR7MTNR1AMTNR1BKCNQ3KCNQ2
SCHEMBL10165388 0.72 HTR2A (0.50) GRIN2BKMT2APPARDPPARA
SCHEMBL10165547 0.71 KCNQ3 (0.33) HTR7MCL1KCNQ3KCNQ2KCNQ4
SCHEMBL20353866 0.69 HTR7 (0.44) HTR7MCL1MTNR1AMTNR1BEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 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-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B GRIN2B 213/4885HTR7 820/4885MCL1 3312/4885

“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.