SCHEMBL1333455

SCHEMBL1333455

Fc1ccc(C2CC3CCC(C2)N3)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A3 Q01959 3/20 0.38
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
ITGA5 P08648 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
USP28 Q96RU2 1/20 0.36
USP25 Q9UHP3 1/20 0.36

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
SCHEMBL1333454 1.00 KDM1A (0.42) KDM1AMAOBHTR2AHTR2CHTR2B
SCHEMBL1206040 0.79 SLC6A2 (0.54) KDM1ASLC6A2SLC6A4CHRM1SLC6A3
SCHEMBL1206038 0.79 SLC6A2 (0.54) KDM1ASLC6A2SLC6A4CHRM1SLC6A3
SCHEMBL808710 0.78 HTR2A (0.46) KDM1AMAOBHTR2AHTR2CHTR2B
SCHEMBL29389392 0.78 HTR2A (0.46) KDM1AMAOBHTR2AHTR2CHTR2B
SCHEMBL6359473 0.77 CHRNB4 (0.56) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL6359475 0.77 CHRNB4 (0.56) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL18110603 0.77 SLC6A2 (0.53) KDM1AHTR2AHTR2CHTR2BSLC6A2
Ammonia Solution, Strong SCHEMBL2142374 0.76 HTR2A (0.44) KDM1AMAOBHTR2AHTR2CHTR2B
SCHEMBL9911019 0.75 SLC6A4 (0.55) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG

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 KDM1A 1654/4885MAOB 401/4885HTR2A 522/4885
US-20110275595-A1 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD3B1, HSD11B2 KDM1A 1085/4885MAOB 301/4885HTR2A 755/4885

“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.