SCHEMBL2603229

SCHEMBL2603229

CC(C)C1CCN(C(=O)CCOc2ccccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
NOS2 P35228 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM5A P29375 1/20 0.41
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
RECQL P46063 1/20 0.40
GRIN2B Q13224 1/20 0.40
C3AR1 Q16581 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL13015225 0.86 ALDH1A1 (0.51) NPC1RAB9AALDH1A1TSHRSMN1; SMN2
SCHEMBL13503900 0.83 NPC1 (0.60) NPC1RAB9AALDH1A1TSHRSMN1; SMN2
SCHEMBL2603256 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1GRIN2BC3AR1
SCHEMBL2603243 0.78 KDM4E (0.50) ALDH1A1NOS2SMN1; SMN2KDM4EPOLB
SCHEMBL22875053 0.73 NPC1 (0.43) NPC1ALDH1A1KMT2APOLB
SCHEMBL22875055 0.73 NPC1 (0.43) NPC1RAB9AALDH1A1TSHRKMT2A
SCHEMBL2603249 0.73 POLB (0.68) NPC1ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL26227927 0.72 NPC1 (0.40) NPC1RAB9AALDH1A1TSHRKMT2A
SCHEMBL25675998 0.72 NOS2 (0.54) NPC1RAB9AALDH1A1NOS2SMN1; SMN2
SCHEMBL22875054 0.72 NPC1 (0.42) NPC1RAB9AALDH1A1TSHRPOLB

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-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 NPC1 155/4885RAB9A 2164/4885ALDH1A1 361/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 NPC1 204/4885RAB9A 2804/4885ALDH1A1 285/4885

“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.