SCHEMBL3598498

SCHEMBL3598498

O=C(O)NCC1CCN(Cc2cccc(Oc3ncccn3)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 4/20 0.53
FAAH O00519 7/20 0.51
ACHE P22303 6/20 0.50
BCHE P06276 4/20 0.50
KDM4E B2RXH2 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL3599975 0.83 CCR8 (0.58) CCR8FAAHACHEBCHEMEN1
SCHEMBL3942812 0.81 CHRM4 (0.55) CCR8FAAHACHEBCHEKDM4E
SCHEMBL3583996 0.81 CHRM4 (0.68)
SCHEMBL17099373 0.80 CCR8 (0.53) CCR8KDM4EMEN1KMT2AALDH1A1
SCHEMBL3598501 0.79 CCR8 (0.51) CCR8KDM4ESIGMAR1MEN1KMT2A
SCHEMBL27782188 0.79 KDM4E (0.60) FAAHKDM4EMEN1KMT2AALDH1A1
SCHEMBL2979082 0.78 CCR8 (0.48) CCR8FAAHKDM4ESIGMAR1MEN1
SCHEMBL19206082 0.77 ALDH1A1 (0.58) KDM4ESIGMAR1DRD2DRD4ALDH1A1
SCHEMBL2979078 0.77 CCR8 (0.50) CCR8KDM4ESIGMAR1DRD2DRD4
SCHEMBL17055885 0.76 KDM4E (0.69) CCR8KDM4EMEN1KMT2AMAPT

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
EP-1720550-B1 DERIVATIVES OF PIPERIDINYLALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-04-15 EP claimed
US-20100279998-A1 PIPERIDINYLALKYLCARBAMATE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2010-11-04 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-20100279998-A1 PIPERIDINYLALKYLCARBAMATE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 CCR8 2783/4885FAAH 1/4885ACHE 428/4885

“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.