SCHEMBL509348

SCHEMBL509348

CCc1nn(CCN)c(CC)c1Oc1cc(F)cc(C(N)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.35
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
PGR P06401 2/20 0.32
RARG P13631 1/20 0.31
RORC P51449 1/20 0.31
P2RX7 Q99572 1/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31
TSHR P16473 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL509125 0.92 P2RX3 (0.35) P2RX3OPRM1OPRK1KCNH2PGR
SCHEMBL4818364 0.82 KCNH2 (0.42) KCNH2PGR
SCHEMBL508747 0.80 MEN1 (0.35) P2RX3OPRM1OPRK1KCNH2
SCHEMBL509057 0.77 PGR (0.41) KCNH2PGRRARGRORCLMNA
SCHEMBL509197 0.76 KCNH2 (0.37) KCNH2PGRPTGDR2
SCHEMBL2716851 0.75 KCNH2 (0.49) KCNH2PGR
SCHEMBL508505 0.73 PGR (0.40) KCNH2PGR
SCHEMBL2717095 0.73 KCNH2 (0.42) KCNH2PGR
SCHEMBL5225253 0.73 RARG (0.36) KCNH2PGRRARGRORCLMNA
SCHEMBL5226765 0.73 F10 (0.38) PGRRARGRORCPTGDR2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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 (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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 P2RX3 1064/4885OPRM1 3577/4885OPRK1 2677/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 P2RX3 1067/4885OPRM1 3674/4885OPRK1 2778/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD P2RX3 1533/4885OPRM1 3874/4885OPRK1 2812/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 P2RX3 1748/4885OPRM1 3059/4885OPRK1 2365/4885

“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.