SCHEMBL3988014

SCHEMBL3988014

CC(C)(C)C1CC(c2ccc(F)c(N)c2)CCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.34
USP5 P45974 2/20 0.34
SMYD3 Q9H7B4 1/20 0.33
RIPK1 Q13546 3/20 0.33
HSD11B1 P28845 2/20 0.32
CCR2 P41597 1/20 0.32
QDPR P09417 1/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL27224984 0.91 HDAC6 (0.34) HDAC6USP5SMYD3RIPK1HSD11B1
SCHEMBL3502629 0.82 QDPR (0.42) QDPR
SCHEMBL3985447 0.81 RIPK1 (0.39) RIPK1OPRM1OPRD1
SCHEMBL29136131 0.79 RIPK1 (0.49) RIPK1HSD11B1DRD2
SCHEMBL3817499 0.79 QDPR (0.44) HDAC6USP5CCR2QDPRHDAC1
SCHEMBL27150712 0.78 RIPK1 (0.35) RIPK1
SCHEMBL9990026 0.78 MLYCD (0.38) RIPK1HSD11B1CYP2C9DRD2
SCHEMBL2548860 0.78 BACE1 (0.37) USP5RIPK1CYP3A4CYP2C9
SCHEMBL19875598 0.78 SLC6A4 (0.39) RIPK1QDPRCYP2C9DRD2
SCHEMBL20448611 0.78 TRPC6 (0.40) RIPK1CYP3A4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 US disclosed
EP-1556351-A4 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2007-07-25 EP disclosed
US-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2005-11-03 US disclosed
EP-1556351-A1 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. Lundbeck A/S (DK) 2005-07-27 EP disclosed
WO-2004005257-A1 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. LUNDBECK A/S (DK) 2004-01-15 WO 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-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, MC1R HDAC6 2063/4885USP5 947/4885SMYD3 1435/4885

“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.