SCHEMBL3593642

SCHEMBL3593642

CN1C(=O)COc2c(N)cccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.41
HTR1D P28221 8/20 0.41
HTR1B P28222 8/20 0.41
SLC6A4 P31645 8/20 0.41
KCNH2 Q12809 8/20 0.41
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTR6 P50406 2/20 0.37
BRPF1 P55201 1/20 0.37
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
USP19 O94966 1/20 0.35
ADRA2C P18825 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2C P28335 1/20 0.34
PTGER3 P43115 1/20 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
SCHEMBL16361881 0.83 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL14867323 0.81 HTR1A (0.44) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL474683 0.80 TERT (0.47) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL24656306 0.78 HTR1A (0.39) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL13545338 0.78 HTR1A (0.39) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL3584551 0.77 HTR6 (0.41) HTR1AHTR6USP19ALDH1A1
SCHEMBL31133320 0.76 SLC6A4 (0.41) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL1339079 0.76 SLC6A4 (0.41) HTR1AHTR1DHTR1BSLC6A4KCNH2
Hydrochloric Acid SCHEMBL7288897 0.75 SLC6A4 (0.40) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL15400437 0.75 GAA (0.40) HTR1AHTR1DHTR1BSLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed
US-20140005382-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-02 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20140005382-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND LCAT, ACAT2, SOAT2 HTR1A 3806/4885HTR1D 3768/4885HTR1B 2615/4885
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 HTR1A 1118/4885HTR1D 489/4885HTR1B 1692/4885

“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.