SCHEMBL6928394

SCHEMBL6928394

COC(=O)C1CCC(OCc2ccc(OC)cc2)C(CC=O)(C(=O)OC)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.36
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
HTT P42858 1/20 0.34
EPHX2 P34913 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL6926870 0.91 NPC1 (0.37) ADAM17ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6928654 0.76 NAAA (0.37) ADAM17ALDH1A1NPC1RAB9ACDK5
SCHEMBL16686234 0.69 HTT (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL6928659 0.69 NAAA (0.36) ADAM17ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6928220 0.68 CDK5 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL8191635 0.65 FABP7 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL8502974 0.65 FABP7 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL10635858 0.63 FABP7 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21061655 0.63 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL21061656 0.63 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359297-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2016-06-07 US disclosed
US-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-07-10 US disclosed
EP-2493304-B1 SPIROLACTAM DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2014-02-26 EP disclosed
US-8633190-B2 Spirolactam derivatives and uses of same H. LUNDBECK A/S (DK) 2014-01-21 US disclosed
WO-2011053575-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-05-05 WO disclosed
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-28 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-20140194424-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D ADAM17 2429/4885ALDH1A1 62/4885NPC1 1468/4885
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D ADAM17 2429/4885ALDH1A1 62/4885NPC1 1468/4885

“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.