SCHEMBL16220627

SCHEMBL16220627

CC(=O)c1cccn1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAOB P27338 2/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC18A3 Q16572 1/20 0.34
DRD3 P35462 2/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL9955674 0.82 L3MBTL1 (0.41) NPC1RAB9AMAOBKMT2AMEN1
SCHEMBL9956839 0.81 DRD2 (0.36) NPC1RAB9AMAOBKMT2ASLC18A3
SCHEMBL12868362 0.80 RIPK1 (0.37) NPC1RAB9AMAOBKMT2AMEN1
SCHEMBL25446986 0.76 NPC1 (0.42) NPC1RAB9AMAOBKMT2APOLB
SCHEMBL1812388 0.76 KDM4E (0.43) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL28081218 0.73 KMT2A (0.50) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL25446988 0.72 NPC1 (0.41) NPC1RAB9AMAOBKMT2AMEN1
SCHEMBL27643773 0.72 HTR6 (0.39) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL4543005 0.71 OPRD1 (0.39) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL28035388 0.70 NPC1 (0.40) NPC1RAB9AMAOBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 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 (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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 NPC1 1431/4885RAB9A 2388/4885MAOB 334/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 NPC1 1972/4885RAB9A 2715/4885MAOB 399/4885

“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.