SCHEMBL13392020

SCHEMBL13392020

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 3/20 0.43
▸ PRKAB2 O43741 2/20 0.43
▸ PRKAG1 P54619 2/20 0.43
▸ PRKAA1 Q13131 2/20 0.43
▸ PRKAG3 Q9UGI9 2/20 0.43
▸ PRKAG2 Q9UGJ0 2/20 0.43
▸ PRKAB1 Q9Y478 2/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 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
SCHEMBL14077856 1.00 PRKAA2 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14078587 0.92 L3MBTL1 (0.47) KDM4EMEN1TSHRKMT2APOLB
SCHEMBL13392067 0.92 L3MBTL1 (0.47) KDM4EMEN1TSHRKMT2APOLB
SCHEMBL13392079 0.91 PRKAA2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14188215 0.91 PRKAA2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13391020 0.91 ALDH1A1 (0.44) CYP3A4KDM4EMEN1TSHRKMT2A
SCHEMBL14188214 0.91 KMT2A (0.49) KDM4EMEN1TSHRKMT2APOLB
SCHEMBL13392059 0.91 KMT2A (0.49) KDM4EMEN1TSHRKMT2APOLB
SCHEMBL13392099 0.90 PRKAA2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14078053 0.90 PRKAA2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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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