SCHEMBL6765665

SCHEMBL6765665

CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)N2CCOCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
USP2 O75604 1/20 0.60
TSHR P16473 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RECQL P46063 2/20 0.50
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5000162 0.94 SMN1; SMN2 (0.68) SMN1; SMN2USP2TSHRL3MBTL1RECQL
SCHEMBL24693743 0.81 MEN1 (0.52) SMN1; SMN2USP2MEN1KMT2AHPGD
SCHEMBL1487171 0.81 MEN1 (0.49) SMN1; SMN2USP2MEN1KMT2AHPGD
SCHEMBL189729 0.81 MEN1 (0.49) SMN1; SMN2USP2MEN1KMT2AALDH1A1
SCHEMBL3086430 0.81 USP2 (0.75) SMN1; SMN2USP2TSHRRECQLMEN1
SCHEMBL6963497 0.80 SMN1; SMN2 (0.52) SMN1; SMN2USP2TSHRL3MBTL1RECQL
SCHEMBL24762569 0.80 USP2 (0.73) SMN1; SMN2USP2TSHRRECQLMEN1
SCHEMBL2920417 0.79 SMN1; SMN2 (0.83) SMN1; SMN2USP2TSHRRECQLMEN1
SCHEMBL12629406 0.78 USP2 (0.76) SMN1; SMN2USP2TSHRRECQLMEN1
SCHEMBL344191 0.78 SMN1; SMN2 (0.96) SMN1; SMN2USP2TSHRRECQLLMNA

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-20040034032-A1 Quinoline and quinazoline compounds useful in therapy PFIZER INC 2004-02-19 US disclosed
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy PFIZER INC. 2003-11-27 US disclosed
US-6649620-B2 Particularly in the treatment of benign prostatic hyperplasia. PFIZER INC. 2003-11-18 US disclosed
US-6642242-B2 Antiproliferative agents to treat benign prostatic hyperplasia PFIZER INC. 2003-11-04 US disclosed
US-20030045525-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2003-03-06 US disclosed
EP-0875506-B1 Quinoline and quinazoline compounds useful in therapy PFIZER LTD (GB) 2003-02-26 EP 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
EP-0875506-A1 Quinoline and quinazoline compounds useful in therapy Pfizer Limited (GB) 1998-11-04 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 (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-20030045525-A1 Quinoline and quinazoline compounds useful in therapy NQO2, LPXN, BPHL SMN1; SMN2 3252/4885USP2 3346/4885TSHR 1730/4885
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, IDH3B SMN1; SMN2 3821/4885USP2 3379/4885TSHR 2135/4885
US-20040034032-A1 Quinoline and quinazoline compounds useful in therapy NQO2, LPXN, SDHA SMN1; SMN2 3191/4885USP2 3480/4885TSHR 1799/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 SMN1; SMN2 3839/4885USP2 3351/4885TSHR 2137/4885

“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.