SCHEMBL5612424

SCHEMBL5612424

Cc1c(NC2=NCCN2)ccc(Cl)c1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 11/20 0.54
▸ ADRA1A P35348 10/20 0.54
▸ ADRA2B P18089 9/20 0.54
▸ ADRA2C P18825 9/20 0.54
▸ ADRA1D P25100 9/20 0.54
▸ ADRA1B P35368 9/20 0.54
▸ HTR7 P34969 2/20 0.49
▸ LMNA P02545 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SLC22A1 O15245 1/20 0.48
▸ SLC22A3 O75751 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HRH2 P25021 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ SLC47A1 Q96FL8 1/20 0.48

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
SCHEMBL5612487 0.85 ADRA2A (0.56) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL29412295 0.77 ADRA2A (0.65) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL5611436 0.76 ADRA2A (0.58) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL5612448 0.75 ADRA2A (0.61) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL31442157 0.74 ADRA2A (0.64) ADRA2AADRA1AADRA2BADRA2CADRA1D
Tolonidine SCHEMBL310600 0.74 ADRA2A (0.55) ADRA2AADRA1AADRA2BADRA2CADRA1D
Tolonidine SCHEMBL29391908 0.74 ADRA2A (0.55) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL5611947 0.74 ADRA2A (0.48) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL11762970 0.71 ADRA2A (0.63) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL29349477 0.71 ADRA2A (0.63) ADRA2AADRA1AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509897-A — — 2007-04-19 — — JP claimed
EP-1682110-A1 PHARMACEUTICAL COMPOSITION CONSISTING OF A BETA-3 ADRENOCEPTOR AGONIST AND AN ALPHA AGONIST Boehringer Ingelheim International GmbH (DE) 2006-07-26 — — EP claimed
US-20050154041-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and alpha-agonist BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2005-07-14 — — US claimed
WO-2005046664-A1 PHARMACEUTICAL COMPOSITION CONSISTING OF A BETA-3 ADRENOCEPTOR AGONIST AND AN ALPHA AGONIST BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-26 — — WO claimed
EP-1682110-A1 PHARMACEUTICAL COMPOSITION CONSISTING OF A BETA-3 ADRENOCEPTOR AGONIST AND AN ALPHA AGONIST Boehringer Ingelheim International GmbH (DE) 2006-07-26 — — EP disclosed
US-20050154041-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and alpha-agonist BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2005-07-14 — — US disclosed
WO-2005046664-A1 PHARMACEUTICAL COMPOSITION CONSISTING OF A BETA-3 ADRENOCEPTOR AGONIST AND AN ALPHA AGONIST BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-26 — — WO 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-20050154041-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and alpha-agonist ADRB3, ADRB2, ADRB1 ADRA2A 7/4885ADRA1A 6/4885ADRA2B 4/4885

“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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