SCHEMBL3517895

SCHEMBL3517895

CC1(C2C(=O)Nc3ccccc32)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.41
BRPF1 P55201 1/20 0.39
CREBBP Q92793 1/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PDE7A Q13946 1/20 0.37
GSK3B P49841 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PARP1 P09874 1/20 0.36
TDO2 P48775 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3524669 0.79 TP53 (0.43) MAPTALDH1A1
SCHEMBL3520210 0.75 PGR (0.62)
SCHEMBL15499981 0.70 PDK2 (0.50) IDO1BRPF1CREBBPMAPTALDH1A1
SCHEMBL30088920 0.67 BRPF1 (0.53) IDO1BRPF1CREBBPMAPTALDH1A1
SCHEMBL260994 0.67 BRPF1 (0.53) IDO1BRPF1CREBBPMAPTALDH1A1
SCHEMBL19054962 0.67 BRPF1 (0.53) IDO1BRPF1CREBBPMAPTALDH1A1
SCHEMBL7375443 0.67 MAPT (0.49) IDO1BRPF1CREBBPMAPTALDH1A1
SCHEMBL18552441 0.67 MAPT (0.49) IDO1BRPF1CREBBPMAPTALDH1A1
SCHEMBL9899738 0.67 IDO1 (0.53) IDO1BRPF1CREBBPMAPTALDH1A1
SCHEMBL6220534 0.66 BRPF1 (0.52) IDO1BRPF1CREBBPMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645761-B2 Indoline derivatives WYETH (US) 2010-01-12 US disclosed
US-20070259944-A1 Indoline derivatives WYETH (US) 2007-11-08 US disclosed
US-7253203-B2 Indoline derivatives WYETH (US) 2007-08-07 US disclosed
EP-1175398-B1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS WYETH CORP (US) 2007-07-11 EP disclosed
US-7084168-B2 Indoline derivatives WYETH (US) 2006-08-01 US disclosed
US-20060160882-A1 Indoline derivatives WYETH (US) 2006-07-20 US disclosed
US-20030220388-A1 Amides such as 5-(3-Nitrophenyl)-1,3-dihydro-indol-2-one, used as antiprogesterones, contraceptives, for hormone replacement therapy during menopause and as anticarcinogenic agents WYETH 2003-11-27 US disclosed
US-6608068-B2 Substituted indoline derivative compounds which are antagonists of the progesterone receptor; contraceptives; antineoplastic agents WYETH 2003-08-19 US disclosed
US-6544970-B2 Administering in a first phase of a progestational agent (levonorgestrel or ethinylestradiol) and in a second phase an antiprogestin that is an indolinone derivative, especially a 3-spiroalkylene derivative WYETH 2003-04-08 US disclosed
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives WYETH 2003-03-13 US disclosed
US-6462032-B1 Cyclic regimens utilizing indoline derivatives WYETH 2002-10-08 US disclosed
US-20020086874-A1 Indoline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-04 US disclosed
US-6391907-B1 ANTICANCER AGENTS; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US disclosed
EP-1173212-A1 CONTRACEPTIVE COMPOSITIONS CONTANING INDOLONE DERIVATIVES AND PROGESTATIONAL AGENTS American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066167-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING INDOLINE DERIVATIVES AND PROGESTATIONAL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO 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 (5 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-20070259944-A1 Indoline derivatives PGR, GNRHR, PRLHR IDO1 62/4885BRPF1 832/4885CREBBP 1126/4885
US-20020086874-A1 Indoline derivatives PGR, GNRHR, PRLHR IDO1 56/4885BRPF1 816/4885CREBBP 1587/4885
US-20060160882-A1 Indoline derivatives PGR, GNRHR, PRLHR IDO1 62/4885BRPF1 832/4885CREBBP 1126/4885
US-20030220388-A1 Amides such as 5-(3-Nitrophenyl)-1,3-dihydro-indol-2-one, used as antiprogesterones, contraceptives, for hormone replacement therapy during menopause and as anticarcinogenic agents PGR, CYP19A1, PGRMC1 IDO1 171/4885BRPF1 1961/4885CREBBP 2403/4885
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives PRLHR, GNRHR, BRCA1 IDO1 77/4885BRPF1 1223/4885CREBBP 514/4885

“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.