SCHEMBL6456656

SCHEMBL6456656

CC(C)C(=O)O.Oc1ccccc1C(O)CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 7/20 0.62
▸ KCNH2 Q12809 5/20 0.62
▸ LMNA P02545 3/20 0.62
▸ DRD3 P35462 3/20 0.62
▸ HTR2A P28223 2/20 0.62
▸ HTR2B P41595 2/20 0.62
▸ BLM P54132 2/20 0.62
▸ CNR1 P21554 1/20 0.62
▸ APEX1 P27695 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ PDE3A Q14432 1/20 0.62
▸ DRD2 P14416 2/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ CYP2J2 P51589 6/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ CACNA1F O60840 1/20 0.60
▸ GMNN O75496 1/20 0.60
▸ USP2 O75604 1/20 0.60

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
SCHEMBL11401175 0.88 KCNH2 (0.57) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL3431215 0.87 KCNH2 (0.76) HRH1KCNH2LMNADRD3HTR2A
Hydrochloric Acid SCHEMBL2985731 0.86 HRH1 (0.76) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL6329151 0.85 HRH1 (0.62) HRH1KCNH2LMNADRD3HTR2A
Hydrochloric Acid SCHEMBL7694248 0.85 HRH1 (0.74) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL6452301 0.83 HRH1 (0.64) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL2456709 0.82 HRH1 (0.74) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL11396565 0.82 KCNH2 (0.74) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL8456714 0.82 HRH1 (0.73) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL11377990 0.82 HRH1 (0.72) HRH1KCNH2LMNADRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4254129-A ANTIALLERGENS, BRONCHODILATORS, ANTIHISTAMINES; 4-DIPHENYLMETHYL PIPERIDINO-ALKANOLS RICHARDSON-MERRELL INC. (US) 1981-03-03 — — US claimed
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
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-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 HRH1 26/4885KCNH2 1485/4885LMNA 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 HRH1 28/4885KCNH2 1406/4885LMNA 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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