SCHEMBL6765694

SCHEMBL6765694

COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2c(I)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.50
ADRA1B P35368 5/20 0.50
ADRA2B P18089 4/20 0.50
ADRA2C P18825 4/20 0.50
ADRA2A P08913 3/20 0.50
ADRA1D P25100 3/20 0.50
KCNH2 Q12809 3/20 0.50
DRD3 P35462 1/20 0.50
CFD P00746 3/20 0.49
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 6/20 0.46
GLA P06280 6/20 0.46
HSD17B10 Q99714 5/20 0.46
GAA P10253 5/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 3/20 0.46
OPRM1 P35372 3/20 0.46
TP53 P04637 2/20 0.46
SLC22A1 O15245 2/20 0.46

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
SCHEMBL7656060 0.87 ADRA1A (0.48) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL6767113 0.86 AKR1C3 (0.41) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL6765436 0.85 ADRA1A (0.47) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL6946914 0.85 CFD (0.50) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL7010612 0.84 ADRA1A (0.46) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL6766548 0.84 CFD (0.54) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL7014090 0.83 ADRA1A (0.45) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL7253553 0.83 ADRA1A (0.44) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL7014811 0.82 ADRA1A (0.44) ADRA1AADRA1BADRA2BADRA2CADRA2A
SCHEMBL7653518 0.82 CFD (0.50) ADRA1AADRA1BADRA2BADRA2CADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750214-B2 PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COLLIS ALAN JOHN (US) 2004-06-15 US disclosed
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy PFIZER INC. 2003-11-27 US disclosed
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
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 US disclosed
US-6103738-A Quinoline and quinazoline compounds useful in therapy PFIZER INC. (US) 2000-08-15 US disclosed
EP-0877734-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER RES & DEV (IE) 2000-07-12 EP 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-20030130259-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, LPXN ADRA1A 93/4885ADRA1B 91/4885ADRA2B 188/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 ADRA1A 100/4885ADRA1B 94/4885ADRA2B 193/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 ADRA1A 11/4885ADRA1B 68/4885ADRA2B 175/4885

“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.