SCHEMBL12366268

SCHEMBL12366268

CCC[C@@H](C)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 1.00
NPC1 O15118 3/20 1.00
ALDH1A1 P00352 4/20 0.68
HPGD P15428 2/20 0.68
SMN1; SMN2 Q16637 5/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
HTT P42858 1/20 0.63
LMNA P02545 2/20 0.59
NAMPT P43490 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HPGDS O60760 1/20 0.55
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.52

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
SCHEMBL12706065 1.00 RAB9A (1.00) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1003282 0.90 RAB9A (0.82) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12356355 0.86 RAB9A (0.76) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL18560572 0.84 NPC1 (0.73) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5612144 0.83 RAB9A (0.70) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12356354 0.82 RAB9A (0.70) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12706057 0.82 ALDH1A1 (0.73) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12366265 0.82 NPC1 (0.69) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9128648 0.81 ALDH1A1 (0.71) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL27452233 0.81 RAB9A (0.68) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 RAB9A 3609/4885NPC1 3103/4885ALDH1A1 991/4885

“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.