SCHEMBL6449193

SCHEMBL6449193

CC(C)(CO)c1ccc(C(O)CCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ KCNH2 Q12809 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HRH1 P35367 3/20 0.40
▸ DRD3 P35462 3/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ GMNN O75496 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ FYN P06241 1/20 0.40

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
SCHEMBL6449113 0.91 KCNH2 (0.44) OPRM1OPRK1OPRD1KCNH2LMNA
SCHEMBL11371347 0.89 SETD7 (0.39) OPRM1OPRD1HTR1AMEN1GAA
SCHEMBL6452266 0.85 KCNH2 (0.51) OPRM1OPRK1OPRD1KCNH2LMNA
SCHEMBL11369436 0.81 OPRM1 (0.41) OPRM1OPRK1OPRD1KCNH2LMNA
SCHEMBL11373711 0.80 OPRD1 (0.48) OPRM1OPRK1OPRD1HRH1DRD3
SCHEMBL6452534 0.79 SETD7 (0.41) OPRM1OPRD1HTR1AMEN1GAA
SCHEMBL9075810 0.79 KCNH2 (0.61) OPRM1OPRK1OPRD1KCNH2LMNA
SCHEMBL1968862 0.76 LMNA (0.64) OPRM1OPRK1OPRD1KCNH2LMNA
SCHEMBL11373002 0.76 ALPL (0.42) OPRM1OPRK1OPRD1HTR2AHTR2B
SCHEMBL9073468 0.75 SIGMAR1 (0.55) LMNADRD3DRD2HTR1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090454-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with an antihistamine for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS, LLC 2005-04-28 — — US disclosed
WO-2005011604-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH AN ANTIHISTAMINE FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2005-02-10 — — WO disclosed
US-20050026890-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with an antihistamine for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS LLC 2005-02-03 — — US disclosed
US-4285957-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — US disclosed
US-4254129-A ANTIALLERGENS, BRONCHODILATORS, ANTIHISTAMINES; 4-DIPHENYLMETHYL PIPERIDINO-ALKANOLS RICHARDSON-MERRELL INC. (US) 1981-03-03 — — 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-20050026890-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with an antihistamine for treatment of asthma or chronic obstructive pulmonary disease KIT, HSD11B2, HSD3B1 OPRM1 1351/4885OPRK1 316/4885OPRD1 308/4885
US-20050090454-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with an antihistamine for treatment of asthma or chronic obstructive pulmonary disease KIT, HSD11B2, HSD3B1 OPRM1 1311/4885OPRK1 294/4885OPRD1 324/4885

“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.

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