SCHEMBL1849372

SCHEMBL1849372

Clc1ccccc1C1CCC[N]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
DPP4 P27487 2/20 0.41
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ADRA1A P35348 2/20 0.36
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOB P27338 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1B P35368 1/20 0.34
RIPK1 Q13546 2/20 0.34

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
SCHEMBL8646652 0.94 TAAR1 (0.44) TAAR1DPP4TP53RECQLHTR2A
SCHEMBL4169809 0.77 TAAR1 (0.45) TAAR1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL3163224 0.77 KDM1A (0.46) HTR2CHTR2BADRA1AKDM4ETNKS2
SCHEMBL8006764 0.77 KMT2A (0.44) RECQLHTR2AHTR2CHTR2BALDH1A1
SCHEMBL4718842 0.74 KDM1A (0.49) TP53ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL3153886 0.74 TAAR1 (0.42) TAAR1DPP4TP53RECQLHTR2A
SCHEMBL4979245 0.73 TAAR1 (0.49) TAAR1DPP4TP53RECQLHTR2A
SCHEMBL3165666 0.73 HTR2C (0.47) HTR2AHTR2CHTR2BADRA1ATSHR
SCHEMBL1254662 0.73 TAAR1 (0.41) TAAR1DPP4TP53RECQLHTR2A
SCHEMBL2201865 0.73 HTR6 (0.33) TP53ALDH1A1SMN1; SMN2TSHRKDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US claimed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071888-A1 PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 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 (4 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 TAAR1 90/4885DPP4 1786/4885TP53 3863/4885
US-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 TAAR1 2610/4885DPP4 2184/4885TP53 4855/4885
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA TAAR1 2385/4885DPP4 208/4885TP53 1070/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 TAAR1 2610/4885DPP4 2184/4885TP53 4855/4885

“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.