SCHEMBL4223312

SCHEMBL4223312

O=C(Nc1ccccc1)N1CCC(Nc2ccc(CO)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.53
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL4229356 0.84 HCAR3 (0.48)
SCHEMBL4228358 0.84 FAAH (0.50) FAAHKDM4EGAAMAPTALDH1A1
SCHEMBL4223188 0.81 FAAH (0.48) FAAHKDM4EGAAMAPTALDH1A1
SCHEMBL4223185 0.81 FAAH (0.48) FAAHKDM4EGAAMAPTALDH1A1
SCHEMBL4227647 0.80 P2RY12 (0.58) FAAHKDM4EALDH1A1
SCHEMBL4226337 0.80 CCNK (0.43)
SCHEMBL4218644 0.79 ACHE (0.58) KDM4EGAA
SCHEMBL15919634 0.79 KDM4E (0.66) FAAHKDM4EGAAMAPTALDH1A1
Hydrochloric Acid SCHEMBL4223280 0.78 FAAH (0.47) FAAHKDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL4223275 0.78 FAAH (0.47) FAAHKDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 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 (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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 FAAH 333/4885KDM4E 200/4885GAA 1351/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 FAAH 288/4885KDM4E 195/4885GAA 1156/4885

“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.