SCHEMBL6539810

SCHEMBL6539810

CCC1(CC)c2cc(Br)ccc2NC1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
TP53 P04637 4/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 4/20 0.35
PKM P14618 1/20 0.35
NQO2 P16083 1/20 0.35
ADRA2A P08913 2/20 0.34
PNMT P11086 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
AKR1B1 P15121 1/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL6539867 0.77 AR (0.38) MAPTTP53POLBLMNAPKM
SCHEMBL22423659 0.75 CREBBP (0.40) MAPTPOLBMEN1KMT2A
SCHEMBL15129545 0.69 BACE1 (0.39) MAPTTP53POLBLMNAPKM
SCHEMBL15129747 0.69 LMNA (0.35) MAPTTP53POLBLMNAPKM
SCHEMBL31606046 0.67 MAPT (0.40) MAPTTP53POLBLMNAPKM
SCHEMBL6770931 0.67 PGR (0.56) LMNAPKM
SCHEMBL1696201 0.64 PGR (0.55) MAPTTP53POLBLMNAPKM
SCHEMBL26922538 0.64 BRD4 (0.45) MAPTTP53POLBLMNAPKM
SCHEMBL16566161 0.64 LMNA (0.36) MAPTTP53POLBLMNAPKM
SCHEMBL5499896 0.63 LMNA (0.48) MAPTTP53POLBLMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1349500-A 3,3-substituted indoline derivatives AMERICAN HOME PROD (US) 2002-05-15 CN 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-1175397-A1 3,3-SUBSTITUTED INDOLINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2002-01-30 EP 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-2000066554-A1 3,3-SUBSTITUTED INDOLINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO 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 MAPT 3400/4885TP53 2279/4885POLB 4014/4885
US-20020035099-A1 Combination regimens using 3,3-substituted indoline derivatives MC2R, PRLHR, MC5R MAPT 4624/4885TP53 1293/4885POLB 4364/4885

“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.