SCHEMBL6540131

SCHEMBL6540131

CC12CCCCC1Nc1ccc(-c3cccc([N+](=O)[O-])c3)cc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.58
TDP2 O95551 2/20 0.44
AR P10275 2/20 0.41
NR3C1 P04150 1/20 0.41
NR3C2 P08235 1/20 0.41
OPRK1 P41145 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL7190639 0.94 PGR (0.53) PGRTDP2ARNR3C1NR3C2
SCHEMBL6539077 0.78 PGR (0.61) PGRTDP2MAPTIDO1
SCHEMBL6541741 0.78 PGR (0.61) PGRTDP2MAPTIDO1
SCHEMBL6540904 0.78 PGR (0.61) PGRTDP2MAPTIDO1
Hydrochloric Acid SCHEMBL6539451 0.77 PGR (0.60) PGRTDP2MAPTIDO1
SCHEMBL7466591 0.74 SRD5A1 (0.59) PGRTDP2
SCHEMBL5230365 0.74 PGR (1.00) PGRTDP2
SCHEMBL3521989 0.73 PGR (1.00) PGRTDP2
SCHEMBL7190173 0.73 PGR (0.54) PGRTDP2
SCHEMBL6539104 0.72 AR (0.46) PGRARNR3C1NR3C2

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
EP-1175397-B1 3,3-SUBSTITUTED INDOLINE DERIVATIVES WYETH CORP (US) 2004-08-18 EP claimed
JP-2002543181-A 2002-12-17 JP 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-6417214-B1 COMPOUNDS AS CONTRACEPTIVES WYETH 2002-07-09 US disclosed
US-20020035099-A1 Combination regimens using 3,3-substituted indoline derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-03-21 US 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

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 3467/4885AR 7/4885
US-20020035099-A1 Combination regimens using 3,3-substituted indoline derivatives MC2R, PRLHR, MC5R PGR 6/4885TDP2 4675/4885AR 7/4885

“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.