SCHEMBL4928160

SCHEMBL4928160

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CCCN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.64
FYN P06241 2/20 0.64
ADORA3 P0DMS8 2/20 0.64
MAPK3 P27361 2/20 0.64
HTR2C P28335 2/20 0.64
DRD3 P35462 2/20 0.64
HTR2B P41595 2/20 0.64
MAPK14 Q16539 2/20 0.64
EGFR P00533 1/20 0.64
PGR P06401 1/20 0.64
ADRB2 P07550 1/20 0.64
CHRM2 P08172 1/20 0.64
ADRA2A P08913 1/20 0.64
AR P10275 1/20 0.64
ADRA2C P18825 1/20 0.64
DRD1 P21728 1/20 0.64
PTGS1 P23219 1/20 0.64
HRH2 P25021 1/20 0.64
PDE4A P27815 1/20 0.64
HTR2A P28223 1/20 0.64

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
SCHEMBL6434222 1.00 LCK (0.64) LCKFYNADORA3MAPK3HTR2C
SCHEMBL9206259 0.97 EGFR (0.61) LCKFYNADORA3MAPK3HTR2C
SCHEMBL9198078 0.86 HTR2A (0.47) LCKFYNADORA3MAPK3HTR2C
SCHEMBL10695802 0.85 EGFR (0.46) LCKFYNADORA3MAPK3HTR2C
SCHEMBL31066921 0.83 CASP1 (0.48) LCKFYNADORA3MAPK3HTR2C
SCHEMBL4877668 0.82 ALDH1A1 (0.74) LCKFYNADORA3MAPK3HTR2C
Hydrochloric Acid SCHEMBL10720129 0.81 ALDH1A1 (0.73) LCKFYNADORA3MAPK3HTR2C
Hydrochloric Acid SCHEMBL9725003 0.80 CASP1 (0.54) LCKFYNADORA3MAPK3HTR2C
SCHEMBL9200492 0.80 EGFR (0.41) LCKFYNADORA3MAPK3HTR2C
SCHEMBL9069451 0.79 CYP19A1 (0.52) LCKFYNADORA3MAPK3HTR2C

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
WO-2023154647-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS PRENDERGAST PATRICK T (IE) 2023-08-17 WO claimed
US-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders PHARMACIA CORPORATION 2005-03-10 US claimed
WO-2005016243-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN ANTIOXIDANT AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA CORPORATION (US) 2005-02-24 WO claimed
EP-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 EP claimed
EP-0263213-B1 C20 Through C26 amino steroids UPJOHN CO (US) 1995-09-06 EP claimed
US-5175281-A Antiulcer, antiinflammatory, antiischemic, antiallergen, antisecretory, wound healing agents; cardiovascular disorders THE UPJOHN COMPANY (US) 1992-12-29 US claimed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 EP claimed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 WO claimed
WO-2023154647-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS PRENDERGAST PATRICK T (IE) 2023-08-17 WO disclosed
US-8486374-B2 Alcohol-free drug or cosmetics carrier mixture of water, hydrophobic solvent, surfactant and gelling agent; oil in water emulsions FOAMIX LTD. (IL) 2013-07-16 US disclosed
US-20080292560-A1 SILICONE IN GLYCOL PHARMACEUTICAL AND COSMETIC COMPOSITIONS WITH ACCOMMODATING AGENT FOAMIX PHARMACEUTICALS LTD. (IL) 2008-11-27 US disclosed
US-20080206161-A1 QUIESCENT FOAMABLE COMPOSITIONS, STEROIDS, KITS AND USES THEREOF FOAMIX PHARMACEUTICALS LTD. (IL) 2008-08-28 US disclosed
US-20080063607-A1 Oleaginous pharmaceutical and cosmetic foam FOAMIX LTD 2008-03-13 US disclosed
US-20070292461-A1 Oleaginous pharmaceutical and cosmetic foam FOAMIX LTD. (IL) 2007-12-20 US disclosed
US-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders PHARMACIA CORPORATION 2005-03-10 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 (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-20050054646-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders TXNRD2, PRDX5, PTGS2 LCK 3536/4885FYN 735/4885ADORA3 1454/4885
US-20080206161-A1 QUIESCENT FOAMABLE COMPOSITIONS, STEROIDS, KITS AND USES THEREOF NR5A1, CYP17A1, LIPA LCK 2520/4885FYN 896/4885ADORA3 3691/4885
US-20080292560-A1 SILICONE IN GLYCOL PHARMACEUTICAL AND COSMETIC COMPOSITIONS WITH ACCOMMODATING AGENT SSTR2, SSTR3, LPXN LCK 4281/4885FYN 4112/4885ADORA3 2214/4885
US-20070292461-A1 Oleaginous pharmaceutical and cosmetic foam LIPA, LIPC, PLIN3 LCK 3516/4885FYN 2751/4885ADORA3 4320/4885
US-20080063607-A1 Oleaginous pharmaceutical and cosmetic foam LIPA, LIPC, PLIN3 LCK 3516/4885FYN 2751/4885ADORA3 4320/4885

“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.