SCHEMBL7017461

SCHEMBL7017461

CC(C)(C)OC(=O)N1CCc2ccc(NS(C)(=O)=O)cc2CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ESR2 Q92731 1/20 0.55
NR1H2 P55055 1/20 0.54
GPR119 Q8TDV5 4/20 0.53
PTPN1 P18031 4/20 0.50
KCNA1 Q09470 2/20 0.48
KCNAB1 Q14722 2/20 0.48
JAK2 O60674 3/20 0.46
JAK3 P52333 3/20 0.46
PTK2 Q05397 3/20 0.46
PTPN2 P17706 1/20 0.45
PTPN6 P29350 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44

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
SCHEMBL8149885 0.96 NPC1 (0.58) NPC1RAB9AESR2NR1H2GPR119
SCHEMBL4789781 0.93 ESR2 (0.66) NPC1RAB9AESR2NR1H2GPR119
SCHEMBL5600152 0.93 NR1H2 (0.65) NPC1RAB9AESR2NR1H2GPR119
SCHEMBL5778881 0.86 KCNA1 (0.57) NPC1RAB9AESR2NR1H2KCNA1
SCHEMBL18423515 0.85 PTPN1 (0.55) NPC1RAB9AESR2NR1H2GPR119
SCHEMBL6365439 0.84 KCNA1 (0.60) NPC1RAB9AESR2NR1H2KCNA1
SCHEMBL6393284 0.84 PTPN1 (0.64) NPC1RAB9AESR2NR1H2PTPN1
SCHEMBL5440052 0.84 KCNA1 (0.56) NPC1RAB9AESR2NR1H2KCNA1
SCHEMBL2310073 0.84 NPC1 (0.66) NPC1RAB9AESR2NR1H2GPR119
SCHEMBL5434427 0.83 KCNA1 (0.55) NPC1RAB9AESR2KCNA1KCNAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0284384-B1 ANTI-ARRHYTHMIC AGENTS Pfizer Limited (GB) 1990-11-28 EP disclosed
US-4891372-A Antiarrhythmic agents, compositions and method of use thereas PFIZER INC. (US) 1990-01-02 US disclosed
EP-0284384-A1 Anti-arrhythmic agents Pfizer Limited (GB) 1988-09-28 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-20030130259-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, LPXN NPC1 952/4885RAB9A 1460/4885ESR2 960/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 NPC1 921/4885RAB9A 1377/4885ESR2 1057/4885

“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.