SCHEMBL1827238

SCHEMBL1827238

C1=C(c2ccc3ccccc3c2)CC2CCC1N2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.52
SLC6A4 P31645 3/20 0.50
SLC6A3 Q01959 3/20 0.46
SLC6A2 P23975 2/20 0.45
KMT2A Q03164 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
SCHEMBL1827241 1.00 HTR1A (0.52) HTR1ASLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL1333407 0.95 HTR1A (0.48) HTR1ASLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL1333402 0.95 HTR1A (0.48) HTR1ASLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL1513406 0.85 SLC6A2 (0.49) SLC6A4SLC6A3SLC6A2
SCHEMBL6575327 0.85 HTR1A (0.57) HTR1ASLC6A4SLC6A3SLC6A2
SCHEMBL6575331 0.85 HTR1A (0.57) HTR1ASLC6A4SLC6A3SLC6A2
SCHEMBL1335736 0.84 SLC6A4 (0.44) HTR1ASLC6A4SLC6A3SLC6A2
SCHEMBL1335738 0.84 SLC6A4 (0.44) HTR1ASLC6A4SLC6A3SLC6A2
SCHEMBL9911016 0.83 SLC6A2 (0.42) SLC6A4SLC6A3SLC6A2
SCHEMBL1334072 0.82 LTA4H (0.41) HTR1ASLC6A4SLC6A3SLC6A2

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
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-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
EP-2318403-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2011-05-11 EP disclosed
WO-2010023161-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 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-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 HTR1A 416/4885SLC6A4 1594/4885SLC6A3 1236/4885

“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.