SCHEMBL7225914

SCHEMBL7225914

CCCCOc1cc(C)c(N)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
RAB9A P51151 2/20 0.43
PDIA6 Q15084 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
LTA4H P09960 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 1/20 0.41
NR5A1 Q13285 1/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL6460166 0.94 TSHR (0.51) TSHRRAB9APDIA6NPC1LTA4H
SCHEMBL19480454 0.92 TSHR (0.54) TSHRRAB9APDIA6NPC1LTA4H
SCHEMBL7220329 0.92 TSHR (0.54) TSHRRAB9APDIA6NPC1LTA4H
SCHEMBL5028320 0.89 ALDH1A1 (0.42) TSHRRAB9AKDM4ENPC1CA12
SCHEMBL25231418 0.82 TP53 (0.45) TSHRPDIA6THRATHRBCYP2C19
SCHEMBL19141233 0.81 CYP1A2 (0.52) TSHRRAB9AKDM4ENPC1CA12
SCHEMBL1401588 0.80 TSHR (0.48) TSHRRAB9AKDM4ENPC1CA12
SCHEMBL11444520 0.80 SKP2 (0.55) TSHRRAB9APDIA6KDM4ENPC1
SCHEMBL6459850 0.80 TP53 (0.47) TSHRPDIA6THRATHRBCYP2C19
SCHEMBL5359909 0.80 MAPT (0.45) TSHRRAB9AKDM4ENPC1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576791-B1 Local anesthetic compounds and uses THERAVANCE, INC. 2003-06-10 US disclosed
US-20030044845-A1 Novel therapeutic agents for membrane transporters THERAVANCE BIOPHARMA R&D IP, LLC 2003-03-06 US disclosed
US-6495681-B1 PRODUCING LOCAL ANESTHESIA OF LONG-DURATION. THE COMPOUNDS OF THIS INVENTION ARE MULTIBINDING COMPOUNDS THAT COMPRISE FROM 2 TO 10 LIGANDS COVALENTLY ATTACHED TO A LINKER OR LINKERS, EACH LIGAND BEING CAPABLE OF BINDING TO A LIGAND BINDING SITE THERAVANCE INC. 2002-12-17 US disclosed
US-6462034-B1 MULTIBINDING COMPOUNDS CONTAINING A SYMETRICAL DIAMINOTETRA-ETHERDODECANE RING WITH TWO SECONDARY AMIDE AND ADDITIONAL SUBSTITUENTS; VOLTAGE GATED SODIUM CHANNEL MODULATORS; LONG DURATION THERAVANCE, INC. 2002-10-08 US disclosed
US-6337423-B1 BIND TO VOLTAGE-GATED SODIUM ION CHANNELS TO MODULATE ACTIVITY ADVANCED MEDICINE, INC. 2002-01-08 US disclosed
WO-1999064045-A9 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE INC (US) 2001-07-05 WO disclosed
CN-1295558-A Novel local anesthetic compounds and uses ADVANCED MEDICINE INC (US) 2001-05-16 CN disclosed
EP-1089749-A4 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE INC (US) 2001-04-11 EP disclosed
EP-1089749-A1 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS Advanced Medicine, Inc. (US) 2001-04-11 EP disclosed
EP-1066245-A4 NOVEL LOCAL ANESTHETIC COMPOUNDS AND USES ADVANCED MEDICINE INC (US) 2001-01-24 EP disclosed
US-4237068-A Primary aminoacylanilides ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-12-02 US disclosed
US-4233055-A Quaternary ammonioalkanecarboxylic acid anilides as plant growth influencing agents CIBA-GEIGY CORPORATION (US) 1980-11-11 US disclosed
US-4218477-A LONG LASTING ORAL AGENTS ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-08-19 US disclosed
US-4141718-A ANTIGROWTH AGENTS FOR PLANTS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4029794-A SAXITOXIN ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1977-06-14 US disclosed
US-4029793-A TETRODOXIN OR DESOXYTETRODOXIN ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1977-06-14 US disclosed
US-4022899-A TETRODOXIN, DESOXYTETRODOXIN, AMINOALKYL BENZOATE ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1977-05-10 US disclosed
US-4001413-A PHARMACEUTICAL LOCAL ANESTHETIC COMPOSITION EMPLOYING SAXITOXIN ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1977-01-04 US disclosed
US-3966934-A AMINOACYL ANILIDE AND A TOXIN ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1976-06-29 US disclosed
US-3957996-A AMINOACYL ANILIDE, SAXITOXIN, ADMINISTERING ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1976-05-18 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 (1 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-20030044845-A1 Novel therapeutic agents for membrane transporters SLC47A2, SLC8B1, SLC47A1 TSHR 1308/4885RAB9A 1595/4885PDIA6 904/4885

“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.