SCHEMBL13218331

SCHEMBL13218331

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
HSD11B1 P28845 1/20 0.41
CYP2J2 P51589 5/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
KDM1A O60341 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 2/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAPK1 P28482 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
S1PR1 P21453 1/20 0.36

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
SCHEMBL14436547 0.81 HSD17B10 (0.44) HSD11B1HTTSMN1; SMN2CYP2D6KCNH2
SCHEMBL29326474 0.80 ITGB3 (0.43) GLAKDM1ASMN1; SMN2CYP2D6CYP1A2
SCHEMBL17281926 0.79 CYP2J2 (0.45) HSD11B1CYP2J2POLBHTTSMN1; SMN2
SCHEMBL5132271 0.79 POLB (0.62) GLAPOLBHTTKDM1ASMN1; SMN2
SCHEMBL11155988 0.77 GLA (0.50) GLAPOLBHTTKDM1ASMN1; SMN2
SCHEMBL13602692 0.76 CYP2D6 (0.36) HSD11B1CYP2J2POLBHTTSMN1; SMN2
SCHEMBL30713417 0.76 CYP2D6 (0.46) HSD11B1CYP2D6KCNH2HRH3
SCHEMBL17988092 0.76 GLA (0.46) GLAPOLBHTTKDM1ASMN1; SMN2
SCHEMBL3197443 0.76 GLA (0.53) GLAPOLBHTTKDM1ASMN1; SMN2
SCHEMBL179340 0.76 SLC18A3 (0.43) HSD11B1POLBHTTKDM1ACYP2D6

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-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 US disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 US disclosed
US-8431593-B2 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-04-30 US disclosed
US-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 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-20100216763-A1 Heteroaryl Amide Derivatives HCAR2, PIGS, GPR52 GLA 1825/4885HSD11B1 2330/4885CYP2J2 391/4885
US-20130172549-A1 Heteroaryl amide derivatives HCAR2, PIGS, GPR52 GLA 1825/4885HSD11B1 2330/4885CYP2J2 391/4885

“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.