SCHEMBL1335693

SCHEMBL1335693

COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KDM1A O60341 3/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
DRD2 P14416 1/20 0.45
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
HTR2C P28335 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL1335696 1.00 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KDM1AMAOA
SCHEMBL11714356 0.82 KDM1A (0.59) KDM1AMAOAMAOBDRD2HTR2C
SCHEMBL12227833 0.82 KDM1A (0.59) KDM1AMAOAMAOBDRD2HTR2C
SCHEMBL1335668 0.80 SLC6A2 (0.63) SLC6A4SLC6A2SLC6A3DRD2DDB1
SCHEMBL1335667 0.80 SLC6A2 (0.63) SLC6A4SLC6A2SLC6A3DRD2DDB1
SCHEMBL1334733 0.79 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL1334736 0.79 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL1335714 0.79 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL1335712 0.79 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL17850375 0.79 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HTR2C

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 14 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
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-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-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-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-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
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
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.