SCHEMBL5849924

SCHEMBL5849924

CC(NC(=O)C1CC1c1ccc(Cl)cc1)c1ccc2c(c1)CCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.50
ACACB O00763 3/20 0.47
HTT P42858 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CHRNA7 P36544 3/20 0.42
KCNH2 Q12809 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL30794389 0.90 PRCP (0.50) PRCPACACBHTTHDAC3HDAC4
SCHEMBL5677149 0.90 PRCP (0.50) PRCPACACBHTTHDAC3HDAC4
SCHEMBL5848276 0.90 CHRNA7 (0.53) ACACBHTTHDAC3HDAC4HDAC1
SCHEMBL5848291 0.84 HTT (0.46) ACACBHTTHDAC3HDAC4HDAC1
SCHEMBL5848047 0.83 ACACB (0.45) PRCPACACBHTTHDAC3HDAC4
SCHEMBL30794373 0.83 ACACB (0.45) PRCPACACBHTTHDAC3HDAC4
SCHEMBL5848195 0.81 ACACB (0.45) PRCPACACBHTTHDAC3HDAC4
SCHEMBL5679372 0.80 ACACB (0.45) PRCPACACBHTTHDAC3HDAC4
SCHEMBL30795640 0.80 ACACB (0.45) PRCPACACBHTTHDAC3HDAC4
SCHEMBL20559175 0.76 ROCK2 (0.42) ACACBHTTHDAC3HDAC4HDAC1

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-7144881-B2 Arylcyclopropylcarboxylic amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 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-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders KCNQ2, KCNQ5, KCNJ2 PRCP 3136/4885ACACB 1135/4885HTT 1206/4885

“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.