SCHEMBL4012599

SCHEMBL4012599

CCCCN(CCc1ccc2ccccc2c1)C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC3 O15379 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
BCHE P06276 3/20 0.51
MMP2 P08253 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
EGFR P00533 2/20 0.49
CYP1A2 P05177 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL3061877 0.87 CYP1A2 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL2448810 0.83 HDAC6 (0.65) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL14228915 0.80 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL10596306 0.79 CA12 (0.61) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL25276969 0.78 CA12 (0.64) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL9435656 0.78 CA12 (0.64) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL25272620 0.78 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL11141720 0.77 HDAC6 (0.77) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL3482935 0.75 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL2693605 0.75 CYP1A2 (0.56) HDAC1HDAC8BCHECYP1A2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504538-B2 Amide or thioamide derivatives and their use in the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-03-17 US disclosed
US-20070197653-A1 Amide or thioamide derivatives and their use in the treatment of pain CARA THERAPEUTICS, INC. (US) 2007-08-23 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-20070197653-A1 Amide or thioamide derivatives and their use in the treatment of pain TRPA1, TRPV1, TST HDAC6 148/4885HDAC1 407/4885HDAC3 660/4885

“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.