SCHEMBL7013446

SCHEMBL7013446

COc1cc2nc(N3CCc4ncccc4C3)cc(N)c2c(-c2ncccn2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CHRM1 P11229 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
KMT2A Q03164 1/20 0.38

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
Potassium Ion SCHEMBL7666970 0.98 ADRA1D (0.45) ADRA1DADRA1AADRA1BGRIN2DGRIN3B
SCHEMBL7014096 0.91 ADRA1D (0.45) ADRA1DADRA1AADRA1B
SCHEMBL7014172 0.90 ADRA1D (0.41) ADRA1DADRA1AADRA1B
SCHEMBL7012470 0.88 ADRA1D (0.61) ADRA1DADRA1AADRA1BGRIN2DGRIN3B
SCHEMBL7006731 0.85 CFD (0.39)
Hydrochloric Acid SCHEMBL6948719 0.83 ADRA1D (0.42) ADRA1DADRA1AADRA1BGRIN2DGRIN3B
SCHEMBL7014166 0.82 ADRA1D (0.45) ADRA1DADRA1AADRA1B
SCHEMBL7011010 0.81 ADRA1D (0.40) ADRA1DADRA1AADRA1BGRIN2DGRIN3B
SCHEMBL7013687 0.80 ADRA1D (0.58) ADRA1DADRA1AADRA1BKMT2A
SCHEMBL7011426 0.80 ADRA1D (0.44) ADRA1DADRA1AADRA1BGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 US claimed
US-6653302-B2 Benign prostatic hyperplasia PFIZER INC. 2003-11-25 US disclosed
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2003-07-10 US disclosed
EP-0968208-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER LTD (GB) 2003-06-04 EP disclosed
US-6521629-B2 2-amine substituted quinoline or quinozoline derivatives useful for treating benign prostatic hyperplasia PFIZER INC. 2003-02-18 US disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 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 (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-20030130259-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, LPXN ADRA1D 83/4885ADRA1A 93/4885ADRA1B 91/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 ADRA1D 83/4885ADRA1A 100/4885ADRA1B 94/4885

“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.