SCHEMBL1334070

SCHEMBL1334070

COC(=O)C1CCN(C(=O)N2C3CCC2CC(c2ccc(F)cc2)C3)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 2/20 0.46
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 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
SCHEMBL12124049 1.00 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4ALDH1A1TSHR
SCHEMBL16015141 0.89 ALDH1A1 (0.53) SLC6A3SLC6A2SLC6A4ALDH1A1TSHR
SCHEMBL1334033 0.89 ALDH1A1 (0.48) ALDH1A1TSHRNPC1MAPTSMN1; SMN2
SCHEMBL12124070 0.89 ALDH1A1 (0.48) ALDH1A1TSHRNPC1MAPTSMN1; SMN2
SCHEMBL12124044 0.86 SIGMAR1 (0.41) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL1335729 0.86 SIGMAR1 (0.41) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL12124048 0.85 SIGMAR1 (0.45) ALDH1A1NPC1RAB9AMAPT
SCHEMBL1334059 0.85 SIGMAR1 (0.45) ALDH1A1NPC1RAB9AMAPT
SCHEMBL12124068 0.84 KMT2A (0.48) ALDH1A1NPC1RAB9AGAAMAPT
SCHEMBL1334012 0.84 KMT2A (0.48) ALDH1A1NPC1RAB9AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829027-B2 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US claimed
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
EP-2350068-A2 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2011-08-03 EP disclosed
WO-2010046445-A2 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-29 WO 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 SLC6A3 1053/4885SLC6A2 483/4885SLC6A4 661/4885

“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.