SCHEMBL2107219

SCHEMBL2107219

CN(C)C(=[O+]On1nnc2ccccc21)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
SLC9A1 P19634 3/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
KEAP1 Q14145 1/20 0.42
SIRT2 Q8IXJ6 3/20 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
SCHEMBL1674865 0.94 NPSR1 (0.41) NPSR1TSHRRXFP1HDAC3HDAC4
SCHEMBL7850332 0.88 NPSR1 (0.39) NPSR1TSHRRXFP1HDAC3HDAC4
SCHEMBL5835372 0.80 TSHR (0.49) NPSR1TSHRRXFP1HDAC3HDAC4
Hydrochloric Acid SCHEMBL8100111 0.79 ALDH1A1 (0.43) NPSR1TSHRMAPK1KMT2ANPC1
SCHEMBL4958142 0.78 NPSR1 (0.42) NPSR1TSHRRXFP1HDAC3HDAC4
SCHEMBL28621513 0.76 HDAC3 (0.52) NPSR1TSHRRXFP1HDAC3HDAC4
SCHEMBL3580017 0.74 NPSR1 (0.39) NPSR1TSHRRXFP1HDAC3HDAC4
SCHEMBL15888121 0.74 HDAC3 (0.50) NPSR1TSHRRXFP1HDAC3HDAC4
SCHEMBL5649727 0.74 HDAC3 (0.57) NPSR1TSHRRXFP1HDAC3HDAC4
SCHEMBL78773 0.73 SLC9A1 (0.46) NPSR1SLC9A1POLBMAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926333-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2018-03-27 US disclosed
US-20170327514-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 US disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
US-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 US disclosed
US-20150252008-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-10 US disclosed
US-9079866-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 US disclosed
US-9073876-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-07 US disclosed
US-9012412-B2 Dual SGLT1/SGLT2 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-04-21 US disclosed
US-8901314-B2 Substituted pyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 US disclosed
US-20140256657-A1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-11 US disclosed
US-20140221310-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US disclosed
US-20140221311-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US disclosed
US-20140163031-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-06-12 US disclosed
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US disclosed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
EP-2066636-B1 5-PHENYL-NICOTINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-26 EP disclosed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 US disclosed
US-20080306044-A1 SPIROBENZOAZEPANES AS VASOPRESSIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-11 US 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 (10 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-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 NPSR1 21/4885TSHR 654/4885RXFP1 78/4885
US-20140256657-A1 DUAL SGLT1/SGLT2 INHIBITORS SLC5A1, SLC5A2, GLP1R NPSR1 1453/4885TSHR 1328/4885RXFP1 105/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 NPSR1 21/4885TSHR 654/4885RXFP1 78/4885
US-20170327514-A1 FLAP MODULATORS FEN1, PGF, TBXA2R NPSR1 2481/4885TSHR 2773/4885RXFP1 453/4885
US-20080306044-A1 SPIROBENZOAZEPANES AS VASOPRESSIN ANTAGONISTS AVPR2, AVPR1B, AVPR1A NPSR1 27/4885TSHR 211/4885RXFP1 141/4885
US-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R NPSR1 2652/4885TSHR 2884/4885RXFP1 210/4885
US-20140221310-A1 FLAP MODULATORS FEN1, PGF, PTGIS NPSR1 3005/4885TSHR 3351/4885RXFP1 552/4885
US-20140163031-A1 SUBSTITUTED PYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1A NPSR1 270/4885TSHR 2165/4885RXFP1 526/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R NPSR1 2694/4885TSHR 2461/4885RXFP1 303/4885
US-20150252008-A1 FLAP MODULATORS FEN1, PGF, PTGIS NPSR1 3005/4885TSHR 3351/4885RXFP1 552/4885

“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.