SCHEMBL3871841

SCHEMBL3871841

CNC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 11/20 0.64
KCNMA1 Q12791 3/20 0.64
TMPRSS4 Q9NRS4 7/20 0.62
P2RX4 Q99571 5/20 0.62
P2RX7 Q99572 5/20 0.62
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CDK1 P06493 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
MEN1 O00255 1/20 0.53
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53
KDR P35968 1/20 0.53
FLT3 P36888 1/20 0.53
KMT2A Q03164 1/20 0.53
MYLK Q15746 1/20 0.53
MAP4K5 Q9Y4K4 1/20 0.53

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
SCHEMBL3814303 0.85 P2RX1 (0.53) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL11324189 0.84 P2RX1 (0.68) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL3787454 0.84 ALDH1A1 (0.50) P2RX1KCNMA1TMPRSS4CA1CA2
SCHEMBL5506621 0.82 P2RX1 (0.66) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL7987535 0.82 ALDH1A1 (0.67) CA1CA2TAS1R3TAS1R1TAS1R2
SCHEMBL11768955 0.81 P2RX1 (0.44) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL3277584 0.81 ALDH1A1 (0.70) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL17481527 0.81 GAA (0.58) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL19141069 0.81 P2RX1 (0.64) P2RX1KCNMA1TMPRSS4P2RX4P2RX7
SCHEMBL824657 0.81 JAK2 (0.49) P2RX1KCNMA1TMPRSS4MEN1KDR

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-20170152260-A1 STAT3 INHIBITOR BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-01 US disclosed
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP disclosed
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US disclosed
CN-101228158-A N-amide derivatives of 8-azabicyclo[3.2.1]oct-3-yl as ccr1 antagonists ALMIRALL LAB (ES) 2008-07-23 CN disclosed
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 EP disclosed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 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 (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-20170152260-A1 STAT3 INHIBITOR STAT3, STAT1, STAT4 P2RX1 4177/4885KCNMA1 4724/4885TMPRSS4 785/4885
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists CCR1, CCR3, CCR8 P2RX1 1025/4885KCNMA1 2829/4885TMPRSS4 4059/4885

“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.