SCHEMBL10165388

SCHEMBL10165388

Cc1ccc2c(ccn2CC(=O)C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
GRIN2B Q13224 6/20 0.46
FABP4 P15090 2/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 2/20 0.41
PRMT5 O14744 1/20 0.40
NPC1 O15118 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NTSR1 P30989 2/20 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
SCHEMBL10165540 0.85 HTR2A (0.48) HTR2AHTR2CFABP4CDK4CCND1
SCHEMBL16234644 0.83 HTR2A (0.54) HTR2AHTR2CFABP4CDK4CCND1
SCHEMBL5537950 0.83 KMT2A (0.60) HTR2AHTR2CFABP4CDK4CCND1
SCHEMBL10203425 0.80 HTR2A (0.51) HTR2AHTR2CGRIN2BFABP4CDK4
SCHEMBL19674140 0.79 ATM (0.57) HTR2AHTR2CCDK4CCND1HDAC3
SCHEMBL10165538 0.78 GRIN2B (0.55) HTR2AHTR2CGRIN2B
SCHEMBL25687334 0.76 HTR2A (0.54) HTR2AHTR2CFABP4CDK4CCND1
SCHEMBL10165562 0.76 KDM4E (0.43) KMT2A
SCHEMBL10165570 0.76 MEN1 (0.44) GRIN2BKMT2A
SCHEMBL17676466 0.76 HTR2C (0.57) HTR2AHTR2CFABP4CDK4CCND1

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 4 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
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 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-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B HTR2A 720/4885HTR2C 901/4885GRIN2B 213/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B HTR2A 720/4885HTR2C 901/4885GRIN2B 213/4885

“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.