SCHEMBL2606192

SCHEMBL2606192

CC1CCN(C(=O)CCc2cnc[nH]2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.54
NPC1 O15118 3/20 0.51
HRH3 Q9Y5N1 3/20 0.48
RAB9A P51151 2/20 0.46
QPCT Q16769 1/20 0.44
QPCTL Q9NXS2 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2603250 0.87 CYP2D6 (0.50) CYP2D6HRH3
SCHEMBL1641207 0.72 QPCT (0.62) CYP2D6HRH3QPCTQPCTLKMT2A
SCHEMBL14375261 0.71 HRH3 (0.56) HRH3ALDH1A1
SCHEMBL14028152 0.71 POLB (0.73) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL1527998 0.70 TBXAS1 (0.72) CYP2D6HRH3QPCTQPCTLALDH1A1
SCHEMBL13779951 0.70 ALDH1A1 (0.51) HRH3QPCTQPCTLKMT2AALDH1A1
Hydrochloric Acid SCHEMBL1371691 0.69 TBXAS1 (0.75) CYP2D6HRH3QPCTQPCTLALDH1A1
SCHEMBL9954227 0.69 HRH4 (0.57) CYP2D6HRH3QPCTQPCTLKMT2A
SCHEMBL17040362 0.69 TBXAS1 (0.56) CYP2D6HRH3QPCTQPCTLALDH1A1
SCHEMBL13504053 0.69 SMN1; SMN2 (0.69) NPC1RAB9AKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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 CYP2D6 955/4885NPC1 155/4885HRH3 3373/4885

“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.