SCHEMBL1334110

SCHEMBL1334110

O=C(N1CCCCC1)N1C2CCC1CC(c1ccc(F)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
SLC18A3 Q16572 2/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
FAAH O00519 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL12124042 1.00 SIGMAR1 (0.47) SIGMAR1SLC18A3KMT2AALDH1A1KDM4E
SCHEMBL12124062 0.99 SIGMAR1 (0.46) SIGMAR1SLC18A3KMT2AALDH1A1KDM4E
SCHEMBL1335765 0.99 SIGMAR1 (0.46) SIGMAR1SLC18A3KMT2AALDH1A1KDM4E
SCHEMBL1335733 0.88 SIGMAR1 (0.44) SIGMAR1SLC18A3KMT2AALDH1A1KDM4E
SCHEMBL12124066 0.88 SIGMAR1 (0.44) SIGMAR1SLC18A3KMT2AALDH1A1KDM4E
SCHEMBL19288133 0.86 NPC1 (0.44) SIGMAR1SLC18A3KMT2AKDM4EMEN1
SCHEMBL12124064 0.86 AKR1C3 (0.51) SIGMAR1SLC18A3KMT2AALDH1A1MEN1
SCHEMBL1334701 0.86 AKR1C3 (0.51) SIGMAR1SLC18A3KMT2AALDH1A1MEN1
SCHEMBL12124090 0.86 LIPE (0.44) KMT2AALDH1A1MEN1HRH3NPC1
SCHEMBL1335621 0.86 LIPE (0.44) KMT2AALDH1A1MEN1HRH3NPC1

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 5 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

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 SIGMAR1 46/4885SLC18A3 2502/4885KMT2A 3227/4885

“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.