SCHEMBL12112673

SCHEMBL12112673

CCOC(=O)CC1CCN(Cc2cc(-c3ccccc3)no2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IL4I1 Q96RQ9 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL12112674 0.86 IL4I1 (0.50) IL4I1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL1314946 0.85 IL4I1 (0.49) IL4I1DRD2DRD4HDAC3HDAC4
SCHEMBL12112687 0.84 IL4I1 (0.48) IL4I1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12112306 0.83 USP30 (0.49) IL4I1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL1313532 0.83 IL4I1 (0.47) IL4I1DRD2DRD4HDAC3HDAC4
SCHEMBL13285475 0.82 NOTUM (0.48) RAB9ATDP1L3MBTL1IL4I1DRD2
SCHEMBL12112325 0.81 IL4I1 (0.52) RAB9ATDP1L3MBTL1IL4I1DRD2
SCHEMBL15948271 0.81 USP30 (0.51) IL4I1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1316937 0.80 NOTUM (0.55) RAB9ATDP1L3MBTL1IL4I1DRD2
SCHEMBL12112336 0.79 USP30 (0.49) IL4I1HDAC3HDAC4HDAC1HDAC7

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-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 RAB9A 2811/4885TDP1 892/4885L3MBTL1 1250/4885

“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.