SCHEMBL5364524

SCHEMBL5364524

Brc1ccccc1OC1CCCNC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.53
SLC6A2 P23975 4/20 0.53
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
ALOX5AP P20292 3/20 0.46
FEN1 P39748 3/20 0.46
CHEK1 O14757 2/20 0.43
ROCK1 Q13464 2/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HRH1 P35367 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
SCHEMBL5373238 1.00 HTR1A (0.53) HTR1ASLC6A2CHRNB2CHRNA4IKBKB
SCHEMBL15916679 1.00 HTR1A (0.53) HTR1ASLC6A2CHRNB2CHRNA4IKBKB
SCHEMBL13234940 0.90 HTR1A (0.59) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4
SCHEMBL1927075 0.90 HTR1A (0.59) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4
Hydrochloric Acid SCHEMBL2944236 0.89 HTR1A (0.57) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4
Hydrochloric Acid SCHEMBL2944657 0.89 HTR1A (0.57) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4
SCHEMBL13777963 0.83 SLC6A4 (0.58) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
Hydrochloric Acid SCHEMBL3956421 0.81 SLC6A4 (0.56) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL1926850 0.81 KMT2A (0.44) HTR1ASLC6A2SLC6A3HRH1
SCHEMBL16333708 0.81 HRH1 (0.41) HTR1ASLC6A2CHRNB2CHRNA4SLC6A3

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
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
EP-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
EP-2951170-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-24 EP disclosed
US-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 US disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
EP-3070085-A1 FLAP MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-09-21 EP disclosed
US-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 US disclosed
EP-2951170-A2 FLAP MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-12-09 EP disclosed
US-20150259357-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-17 US disclosed
US-9079866-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 US disclosed
US-20140221311-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US disclosed
WO-2014121055-A2 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 WO disclosed
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed
EP-1370558-B1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-24 EP disclosed
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-04-29 US disclosed
EP-1370558-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-17 EP disclosed
WO-2002059117-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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 (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-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R HTR1A 667/4885SLC6A2 4753/4885CHRNB2 4162/4885
US-20150259357-A1 FLAP MODULATORS PGF, FEN1, TBXA2R HTR1A 1244/4885SLC6A2 4750/4885CHRNB2 4228/4885
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists MC1R, MC4R, MC5R HTR1A 86/4885SLC6A2 976/4885CHRNB2 501/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R HTR1A 1244/4885SLC6A2 4750/4885CHRNB2 4228/4885

“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.