SCHEMBL17596567

SCHEMBL17596567

NCCNC(=O)C(Br)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
CNR1 P21554 6/20 0.47
CNR2 P34972 4/20 0.47
TACR1 P25103 1/20 0.45
TACR3 P29371 1/20 0.45
NAAA Q02083 2/20 0.42
POLB P06746 1/20 0.42
CTSD P07339 1/20 0.42
LTA4H P09960 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 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
SCHEMBL17596634 0.84 CES2 (0.52) CES2CES1CNR1CNR2NAAA
SCHEMBL11402447 0.84 CYP3A4 (0.53) CES2CES1CNR1CNR2NAAA
SCHEMBL9239192 0.83 NAAA (0.53) CES2CES1CNR1CNR2NAAA
SCHEMBL4207067 0.80 LAP3 (0.55) CES2CES1CNR1CNR2POLB
SCHEMBL9232927 0.79 NAAA (0.68) NAAA
SCHEMBL27526912 0.79 MME (0.54) CES2CES1CNR1CNR2
SCHEMBL1173971 0.79 PKM (0.57) CES2CES1CNR1CNR2NAAA
Hydrochloric Acid SCHEMBL11651001 0.78 CNR1 (0.46) CNR1CNR2TACR1TACR3NAAA
SCHEMBL22118182 0.78 MAPK1 (0.51) CNR1NAAA
SCHEMBL13913575 0.77 KMT2A (0.55) CES2CES1POLB

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
US-12338243-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-06-24 US disclosed
US-20220235062-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-07-28 US disclosed
EP-3191488-B1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES JANSSEN PHARMACEUTICA NV (BE) 2019-08-14 EP disclosed
EP-3191488-B1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES JANSSEN PHARMACEUTICA NV (BE) 2019-08-14 EP disclosed
US-20180118749-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 US disclosed
US-20180118749-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 US disclosed
US-20180118749-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 US disclosed
EP-3191488-A1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES Janssen Pharmaceutica, N.V. (BE) 2017-07-19 EP disclosed
WO-2016039983-A1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 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-20220235062-A1 P2X7 MODULATORS P2RX7, P2RX4, P2RX1 CES2 2229/4885CES1 1537/4885CNR1 66/4885
US-12338243-B2 P2X7 modulators P2RX7, P2RX4, P2RX1 CES2 2229/4885CES1 1537/4885CNR1 66/4885
US-20180118749-A1 P2X7 MODULATORS P2RX7, P2RX3, P2RX1 CES2 3335/4885CES1 1330/4885CNR1 90/4885

“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.