SCHEMBL10165537

SCHEMBL10165537

Cc1cc(F)cc2c1ccn2C(C)C(=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
NR3C2 P08235 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
P2RX7 Q99572 3/20 0.31
SLC6A3 Q01959 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
SCHEMBL10165539 0.79 HTR2A (0.42) NR3C2SLC6A2SLC6A4
SCHEMBL16234664 0.71 NR3C2 (0.36) KDM4ENR3C2SLC6A2SLC6A4
SCHEMBL10165371 0.70 HTR2A (0.42) SLC6A2SLC6A4
SCHEMBL10165547 0.68 KCNQ3 (0.33)
SCHEMBL10165368 0.67 KMO (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL12180506 0.66 EZH2 (0.37) KDM4E
SCHEMBL31607587 0.66 RHEB (0.38) KDM4ESLC6A4
SCHEMBL10165378 0.64 SLC6A2 (0.41) KDM4ESLC6A2SLC6A4
SCHEMBL10165548 0.63 HTR2A (0.41) KDM4ENR3C2SLC6A2SLC6A4SLC6A3
SCHEMBL30858469 0.62 HTR2C (0.35) KDM4E

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 KDM4E 2356/4885NR3C2 3904/4885SLC6A2 222/4885

“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.