SCHEMBL6541741

SCHEMBL6541741

C[C@H]1Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc2C1(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.61
TDP2 O95551 2/20 0.46
MAPT P10636 2/20 0.43
IDO1 P14902 1/20 0.43
TSHR P16473 1/20 0.43
ACHE P22303 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 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
SCHEMBL6539077 1.00 PGR (0.61) PGRTDP2MAPTIDO1TSHR
SCHEMBL6540904 1.00 PGR (0.61) PGRTDP2MAPTIDO1TSHR
Hydrochloric Acid SCHEMBL6539451 0.99 PGR (0.60) PGRTDP2MAPTIDO1TSHR
SCHEMBL7190173 0.93 PGR (0.54) PGRTDP2
SCHEMBL6539880 0.85 PGR (0.56) PGRTDP2MAPTIDO1TDP1
SCHEMBL9176307 0.84 ALDH1A1 (0.45) PGRMAPTTSHRACHETDP1
SCHEMBL7179210 0.80 PGR (0.51) PGRTDP2MAPTSMN1; SMN2
SCHEMBL6540131 0.78 PGR (0.58) PGRTDP2MAPTIDO1
Hydrochloric Acid SCHEMBL27558602 0.76 PGR (0.54) PGRTDP2MAPTIDO1TDP1
SCHEMBL15497921 0.76 ALDH1A1 (0.44) PGRTDP2MAPTTSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175397-B1 3,3-SUBSTITUTED INDOLINE DERIVATIVES WYETH CORP (US) 2004-08-18 EP claimed
US-6503939-B2 That are antagonists of the progesterone receptor, in a female contraceptive kit WYETH 2003-01-07 US claimed
JP-2002543181-A 2002-12-17 JP claimed
US-6417214-B1 COMPOUNDS AS CONTRACEPTIVES WYETH 2002-07-09 US claimed
EP-1175397-A1 3,3-SUBSTITUTED INDOLINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2002-01-30 EP claimed
US-6329416-B1 ADMINISTERING TO FEMALE OF CHILD BEARING AGE FOR 28 CONSECUTIVE DAYS: FIRST PHASE DOSAGE OF PROGESTATIONAL AGENT; SECOND PHASE OF ANTIPROGESIN COMPOUND, AND THIRD PHASE OF PLACEBO FOR CONTRACEPTION AMERICAN HOME PRODUCTS CORPORATION 2001-12-11 US claimed
WO-2000066554-A1 3,3-SUBSTITUTED INDOLINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO claimed
US-6835744-B2 For therapy of uterine myometrial fibroids, endometriosis, benign prostatic hypertrophy; carcinomas and adenocarcinomas of endometrium, ovary, breast, colon, prostate, pituitary, meningioma and other hormone-dependent tumors WYETH 2004-12-28 US disclosed
EP-1175397-B1 3,3-SUBSTITUTED INDOLINE DERIVATIVES WYETH CORP (US) 2004-08-18 EP disclosed
US-20030008909-A1 3,3-substituted indoline derivatives WYETH (US) 2003-01-09 US disclosed
US-6503939-B2 That are antagonists of the progesterone receptor, in a female contraceptive kit WYETH 2003-01-07 US disclosed
US-6417214-B1 COMPOUNDS AS CONTRACEPTIVES WYETH 2002-07-09 US disclosed
CN-1349417-A Contraceptive compositions containing 3,3-substituted indoline derivatives and use thereof AMERICAN HOME PROD (US) 2002-05-15 CN disclosed
US-20020035099-A1 Combination regimens using 3,3-substituted indoline derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-03-21 US disclosed
EP-1173211-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING 3,3-SUBSTITUTED INDOLINE DERIVATIVES AND USES THEREOF American Home Products Corporation (US) 2002-01-23 EP disclosed
US-6329416-B1 ADMINISTERING TO FEMALE OF CHILD BEARING AGE FOR 28 CONSECUTIVE DAYS: FIRST PHASE DOSAGE OF PROGESTATIONAL AGENT; SECOND PHASE OF ANTIPROGESIN COMPOUND, AND THIRD PHASE OF PLACEBO FOR CONTRACEPTION AMERICAN HOME PRODUCTS CORPORATION 2001-12-11 US disclosed
WO-2000066166-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING 3,3-SUBSTITUTED INDOLINE DERIVATIVES AND USES THEREOF 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 (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-20030008909-A1 3,3-substituted indoline derivatives NR3C2, PGR, HTR3C PGR 2/4885TDP2 3467/4885MAPT 3400/4885
US-20020035099-A1 Combination regimens using 3,3-substituted indoline derivatives MC2R, PRLHR, MC5R PGR 6/4885TDP2 4675/4885MAPT 4624/4885

“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.