SCHEMBL1334736

SCHEMBL1334736

c1ccc(Oc2ccc(C3CC4CCC(C3)N4)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.54
SLC6A2 P23975 5/20 0.54
SLC6A3 Q01959 5/20 0.54
KDM1A O60341 2/20 0.50
KCNH2 Q12809 2/20 0.46
SCN3A Q9NY46 1/20 0.46
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
CHRNA7 P36544 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
SCHEMBL1334733 1.00 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KDM1AKCNH2
SCHEMBL12093044 0.83 KDM1A (0.53) SLC6A4SLC6A2SLC6A3KDM1AKCNH2
SCHEMBL6227963 0.83 KDM1A (0.53) SLC6A4SLC6A2SLC6A3KDM1AKCNH2
Hydrochloric Acid SCHEMBL23123900 0.81 KDM1A (0.51) SLC6A4SLC6A2SLC6A3KDM1AKCNH2
Hydrochloric Acid SCHEMBL12077004 0.81 KDM1A (0.51) SLC6A4SLC6A2SLC6A3KDM1AKCNH2
Hydrochloric Acid SCHEMBL12077002 0.81 KDM1A (0.51) SLC6A4SLC6A2SLC6A3KDM1AKCNH2
SCHEMBL2452504 0.81 LTA4H (0.42) SLC6A4SLC6A2SLC6A3KCNH2LTA4H
SCHEMBL3970721 0.79 KDM1A (0.57) SLC6A4SLC6A2SLC6A3KDM1AKCNH2
SCHEMBL19322267 0.79 KDM1A (0.57) SLC6A4SLC6A2SLC6A3KDM1AKCNH2
SCHEMBL1335693 0.79 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KDM1A

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
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
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 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-8609690-B2 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-17 US disclosed
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 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 (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-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 SLC6A4 1594/4885SLC6A2 668/4885SLC6A3 1236/4885
US-20110275595-A1 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD3B1, HSD11B2 SLC6A4 661/4885SLC6A2 483/4885SLC6A3 1053/4885

“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.