SCHEMBL13392079

SCHEMBL13392079

CON=C(c1ccc(OC)cc1)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 7/20 0.47
▸ PRKAB2 O43741 6/20 0.47
▸ PRKAG1 P54619 6/20 0.47
▸ PRKAA1 Q13131 6/20 0.47
▸ PRKAG3 Q9UGI9 6/20 0.47
▸ PRKAG2 Q9UGJ0 6/20 0.47
▸ PRKAB1 Q9Y478 6/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ MTNR1B P49286 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
SCHEMBL14188215 1.00 PRKAA2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13392067 0.92 L3MBTL1 (0.47) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL14078587 0.92 L3MBTL1 (0.47) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL13392020 0.91 PRKAA2 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13391020 0.91 ALDH1A1 (0.44) KDM4EALDH1A1CYP3A4CYP2D6MEN1
SCHEMBL14077856 0.91 PRKAA2 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14078056 0.91 KDM4E (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13392097 0.91 KDM4E (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13392059 0.91 KMT2A (0.49) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL14188214 0.91 KMT2A (0.49) KDM4EPOLBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION SECHERING-PLOUGH CORPORATION (US) 2010-04-15 — — US disclosed
US-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 — — 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-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN GPR119, ATF4, GID4 PRKAA2 1437/4885PRKAB2 426/4885PRKAG1 217/4885

“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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