SCHEMBL1335601

SCHEMBL1335601

O=C(N1CCCCC1)N1C2CCC1CC(c1ccc3ccccc3c1)C2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
PREP P48147 2/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SLC6A4 P31645 3/20 0.40
KDM4E B2RXH2 1/20 0.40
DRD2 P14416 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A3 Q01959 2/20 0.40

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
SCHEMBL12124107 1.00 HRH3 (0.47) HRH3PREPACACBACACAALDH1A1
SCHEMBL1335615 0.81 ALDH1A1 (0.45) HRH3PREPALDH1A1HTTNPC1
SCHEMBL12124093 0.81 ALDH1A1 (0.45) HRH3PREPALDH1A1HTTNPC1
SCHEMBL1334711 0.81 USP30 (0.42) HRH3HPGD
SCHEMBL12124088 0.81 USP30 (0.42) HRH3HPGD
SCHEMBL1335747 0.80 ALDH1A1 (0.51) ALDH1A1HTTKDM4EDRD2NPC1
SCHEMBL12124109 0.80 ALDH1A1 (0.51) ALDH1A1HTTKDM4EDRD2NPC1
SCHEMBL12124042 0.79 SIGMAR1 (0.47) HRH3ALDH1A1KDM4EDRD2NPC1
SCHEMBL1335621 0.79 LIPE (0.44) HRH3ALDH1A1NPC1HPGDRAB9A
SCHEMBL1334110 0.79 SIGMAR1 (0.47) HRH3ALDH1A1KDM4EDRD2NPC1

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
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP disclosed
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP disclosed
US-8829027-B2 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-20110275595-A1 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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-20110275595-A1 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD3B1, HSD11B2 HRH3 892/4885PREP 731/4885ACACB 939/4885

“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.