SCHEMBL6928358

SCHEMBL6928358

C=CCC1(C(=O)OC)CC(C(=O)OC)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTR1A P08908 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BRD4 O60885 1/20 0.31
KMT2A Q03164 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL9732373 0.75 CYP2C19 (0.34) KDM4EALDH1A1KMT2A
SCHEMBL24036211 0.72 KMT2A (0.33) KMT2A
SCHEMBL19318721 0.72 BRD4 (0.38) KDM4EALDH1A1BRD4KMT2A
SCHEMBL29199441 0.71 KDM4E (0.33) KDM4E
SCHEMBL29199442 0.71 KDM4E (0.33) KDM4E
SCHEMBL16388405 0.70 BRD4 (0.39) ALDH1A1BRD4KMT2A
SCHEMBL6935831 0.69 KMT2A (0.34) KMT2A
SCHEMBL2633835 0.69 KMT2A (0.35) HTR1AKDM4EALDH1A1KMT2A
SCHEMBL11443489 0.68 BRD4 (0.37) HTR1AKDM4EALDH1A1BRD4KMT2A
SCHEMBL26694507 0.68 KDM4E (0.32) KDM4E

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 10 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-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
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
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
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 NPC1 1468/4885RAB9A 937/4885HTR1A 2638/4885
US-20110098299-A1 SPIROLACTAM DERIVATIVES AND USES OF SAME REN, AGTR1, PDE6D NPC1 1468/4885RAB9A 937/4885HTR1A 2638/4885

“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.