SCHEMBL446838

SCHEMBL446838

c1ccc(COc2ccccc2C2CNCC[N]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.57
HTR1A P08908 6/20 0.57
SLC6A2 P23975 5/20 0.57
SLC6A3 Q01959 5/20 0.57
TNKS2 Q9H2K2 2/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 2/20 0.45
HTR2A P28223 1/20 0.44
CYP1A2 P05177 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
THPO P40225 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
SCHEMBL2200156 0.83 HTR1A (0.37) SLC6A4HTR1ASLC6A2SLC6A3TNKS2
SCHEMBL2204690 0.83 SLC6A2 (0.46) SLC6A4HTR1ASLC6A2SLC6A3HTR2C
SCHEMBL4720203 0.81 HTR2B (0.45) SLC6A4HTR1ASLC6A2SLC6A3HTR2C
SCHEMBL4723022 0.80 TP53 (0.41) SLC6A4HTR1ASLC6A2SLC6A3HTR2C
SCHEMBL1254378 0.79 HTR2C (0.51) SLC6A4HTR1ASLC6A2SLC6A3HTR2C
SCHEMBL11558603 0.75 SLC6A4 (0.59) SLC6A4HTR1ASLC6A2SLC6A3TNKS2
SCHEMBL23228732 0.73 SLC6A2 (1.00) SLC6A4HTR1ASLC6A2SLC6A3HTR2C
SCHEMBL9158101 0.70 HTR2C (0.49) SLC6A4HTR1ASLC6A2SLC6A3HTR2C
SCHEMBL2204913 0.70 HTR2C (0.47) SLC6A4HTR1ASLC6A2TNKS2HTR2C
SCHEMBL3549378 0.70 KDM1A (0.42) SLC6A4HTR1ASLC6A2SLC6A3TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20150197503-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL PORTELA & Cª S A (PT) 2015-07-16 US disclosed
EP-2882712-A2 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & Cª S.A. (PT) 2015-06-17 EP disclosed
WO-2014017938-A2 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2014-01-30 WO disclosed
EP-2606035-A1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & CA., S.A. (PT) 2013-06-26 EP disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2012015324-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2012-02-02 WO disclosed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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 (3 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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS UTS2R, ARG1, PRMT1 SLC6A4 3480/4885HTR1A 2947/4885SLC6A2 2598/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 SLC6A4 1174/4885HTR1A 574/4885SLC6A2 1196/4885
US-20150197503-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS REN, F12, HAT1 SLC6A4 4332/4885HTR1A 3552/4885SLC6A2 3462/4885

“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.