SCHEMBL4160261

SCHEMBL4160261

CCCCc1nc(CCCC)c(CCCC)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TLR8 Q9NR97 3/20 0.36
TLR7 Q9NYK1 3/20 0.36
TSHR P16473 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31

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
SCHEMBL11308300 0.94 ALDH1A1 (0.43) ALDH1A1TLR8TLR7NPSR1
SCHEMBL6174246 0.78 ALDH1A1 (0.32) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL11585839 0.76 ALDH1A1 (0.42) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL11633106 0.73 MEN1 (0.36) ALDH1A1
SCHEMBL13801060 0.73 ALDH1A1 (0.45) ALDH1A1TLR8TLR7TSHRNPSR1
SCHEMBL28331464 0.72 ALDH1A1 (0.50) ALDH1A1TLR8TLR7
SCHEMBL27417193 0.72 AGER (0.36)
SCHEMBL9643993 0.72 GABRP (0.43) ALDH1A1TLR8TLR7TSHRGABRP
SCHEMBL21785277 0.69 GRM5 (0.36) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL5138095 0.69 HRH3 (0.41) ALDH1A1TSHRGABRPGABRDGABRA1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104004509-A Organo-boron group-containing phosphorescent organic electroluminescent material and preparation method thereof UNIV XI AN JIAOTONG 2014-08-27 CN disclosed
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-04-30 US disclosed
US-7488822-B2 Cyclocarbamate derivatives as progesterone receptor modulators WYETH (US) 2009-02-10 US disclosed
US-7122546-B2 Imidazol-1-ylmethyl pyridazine derivatives NEUROGEN CORPORATION (US) 2006-10-17 US disclosed
EP-1647545-A1 Antiviral protease inhibitors MEDIVIR AB (SE) 2006-04-19 EP disclosed
EP-1005493-B1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-11-02 EP disclosed
EP-1549636-A1 IMIDAZOL-1-YLMETHYL PYRIDAZINE DERIVATIVES Neurogen Corporation (US) 2005-07-06 EP disclosed
US-20040186101-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2004-09-23 US disclosed
EP-1173210-B1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC WYETH CORP (US) 2004-09-15 EP disclosed
US-6759408-B2 CYCLIC COMBINATION THERAPIES AND REGIMENS UTILIZING SUBSTITUTED INDOLINE DERIVATIVE COMPOUNDS WHICH ARE ANTAGONISTS OF THE PROGESTERONE RECEPTOR WYETH 2004-07-06 US disclosed
US-6566358-B2 1,4-dihydro-benzo(d)oxazin-2-one derivatives useful for treating hormone-dependent neoplastic disease is selected from uterine myometrial fibroids, endometriosis, benign prostatic hypertrophy, carcinomas, and adenocarcinoma WYETH 2003-05-20 US disclosed
US-20030045511-A1 Combination regimens using progesterone receptor modulators WYETH 2003-03-06 US disclosed
US-6509334-B1 This invention relates to compounds that antagonists of the progesterone receptor, their preparation and utility. Intracellular receptors (IR) form a class of structurally related gene regulators known as \"ligand dependent AMERICAN HOME PRODUCTS CORPORATION 2003-01-21 US disclosed
US-6489364-B2 FROM L-MANNONIC-GAMMA-LACTONE INTERMEDIATES; FOR PROPHYLAXIS OF HIV/AIDS HIV MEDIVIR AB (SE) 2002-12-03 US disclosed
US-6444668-B1 IN COMBINATION WITH A PROGESTIN, AN ESTROGEN, OR BOTH; ANTIPROGESTIN IS A 1,4-DIHYDRO-BENZO(D)(1.3)OXAZIN-2-ONE WYETH 2002-09-03 US disclosed
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2002-04-25 US disclosed
US-20010044547-A1 Antiviral protease inhibitors MEDIVIR AB 2001-11-22 US disclosed
US-6291687-B1 USED ASPARTYL PROTEASE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) MEDIVIR AB (SE) 2001-09-18 US disclosed
EP-1005493-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 2000-06-07 EP disclosed
WO-1998045330-A1 ANTIVIRAL PROTEASE INHIBITORS MEDIVIR AB (SE) 1998-10-15 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-20030045511-A1 Combination regimens using progesterone receptor modulators GNRHR, PGR, PRLHR ALDH1A1 1981/4885TLR8 2051/4885TLR7 2446/4885
US-20010044547-A1 Antiviral protease inhibitors PEPD, PREP, CTSL ALDH1A1 1578/4885TLR8 3383/4885TLR7 3352/4885
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C1, NR5A1, CNR1 ALDH1A1 1401/4885TLR8 3887/4885TLR7 3038/4885
US-20040186101-A1 Cyclocarbamate derivatives as progesterone receptor modulators PGR, NR3C2, NR5A1 ALDH1A1 2671/4885TLR8 3310/4885TLR7 2004/4885
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, NR5A1, NR3C1 ALDH1A1 3329/4885TLR8 2837/4885TLR7 1761/4885

“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.