SCHEMBL6766548

SCHEMBL6766548

COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2c(-c2ccc(F)cc2)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 11/20 0.54
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
ADRA1D P25100 2/20 0.46
KCNH2 Q12809 2/20 0.46
DRD3 P35462 1/20 0.46
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
GLA P06280 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC22A1 O15245 1/20 0.42
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6765436 0.92 ADRA1A (0.47) CFDADRA1AADRA1BADRA2AADRA2B
SCHEMBL7010612 0.89 ADRA1A (0.46) CFDADRA1AADRA1BADRA2AADRA2B
SCHEMBL6762612 0.88 CFD (0.49) CFDADRA1AADRA1B
SCHEMBL4603370 0.87 AKR1C3 (0.41) CFDKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7014811 0.87 ADRA1A (0.44) CFDADRA1AADRA1BADRA2AADRA2B
SCHEMBL7014090 0.85 ADRA1A (0.45) CFDADRA1AADRA1BADRA2AADRA2B
SCHEMBL6765694 0.84 ADRA1A (0.50) CFDADRA1AADRA1BADRA2AADRA2B
SCHEMBL7656060 0.82 ADRA1A (0.48) CFDADRA1AADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL6772489 0.82 CFD (0.47) CFDADRA1AADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL6766622 0.81 CFD (0.47) CFDADRA1AADRA1BADRA2AADRA2B

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 6 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-6642242-B2 Antiproliferative agents to treat benign prostatic hyperplasia PFIZER INC. 2003-11-04 US disclosed
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2002-04-25 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 (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-20020049322-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, IDH3B CFD 3186/4885ADRA1A 14/4885ADRA1B 79/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 CFD 3094/4885ADRA1A 11/4885ADRA1B 68/4885

“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.