SCHEMBL6452266

SCHEMBL6452266

CC(C)(CO)c1ccc(C(O)CCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.51
▸ DRD3 P35462 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ HRH1 P35367 3/20 0.50
▸ DRD2 P14416 3/20 0.50
▸ HTR2A P28223 2/20 0.50
▸ HTR2B P41595 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ OPRM1 P35372 2/20 0.50
▸ OPRK1 P41145 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ CACNA1F O60840 1/20 0.50
▸ GMNN O75496 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ FYN P06241 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ ABCB1 P08183 1/20 0.50

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
SCHEMBL9075810 0.90 KCNH2 (0.61) KCNH2DRD3LMNAHRH1DRD2
SCHEMBL1968862 0.86 LMNA (0.64) KCNH2DRD3LMNAHRH1DRD2
SCHEMBL11860229 0.86 KCNH2 (0.56) KCNH2DRD3LMNAHRH1DRD2
SCHEMBL11369436 0.85 OPRM1 (0.41) KCNH2DRD3LMNAHRH1DRD2
SCHEMBL11863099 0.85 HRH1 (0.56) KCNH2DRD3LMNAHRH1DRD2
SCHEMBL6449193 0.85 OPRM1 (0.41) KCNH2DRD3LMNAHRH1DRD2
SCHEMBL9075124 0.83 HTR1A (0.55) DRD2HTR2AOPRM1OPRK1MEN1
SCHEMBL11866929 0.83 KCNH2 (0.56) KCNH2DRD3LMNAHRH1DRD2
SCHEMBL9075109 0.82 OPRM1 (0.46) KCNH2DRD3LMNAHRH1DRD2
SCHEMBL9073468 0.82 SIGMAR1 (0.55) DRD3LMNADRD2CYP1A2HTR1A

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 KCNH2 1485/4885DRD3 967/4885LMNA 4247/4885
US-20050090454-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with an antihistamine for treatment of asthma or chronic obstructive pulmonary disease KIT, HSD11B2, HSD3B1 KCNH2 1406/4885DRD3 1133/4885LMNA 4261/4885

“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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