SCHEMBL13409686

SCHEMBL13409686

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 0.45
▸ PRKAG1 P54619 1/20 0.45
▸ PRKAA2 P54646 1/20 0.45
▸ PRKAA1 Q13131 1/20 0.45
▸ PRKAG3 Q9UGI9 1/20 0.45
▸ PRKAG2 Q9UGJ0 1/20 0.45
▸ PRKAB1 Q9Y478 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ HIF1A Q16665 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
SCHEMBL13409986 0.89 CYP3A4 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13409687 0.89 ACKR3 (0.44) CHRM4KMT2AMEN1TSHRKCNH2
SCHEMBL13409748 0.88 CYP3A4 (0.46) KMT2AMEN1TSHR
SCHEMBL13409046 0.87 ALDH1A1 (0.48) KMT2AMEN1TSHRMAPTADRB2
SCHEMBL13409985 0.87 L3MBTL1 (0.51) GAAKMT2AMEN1TSHRACKR3
SCHEMBL13409979 0.87 KMT2A (0.55) KMT2AMEN1TSHRPOLBMAPT
SCHEMBL13409111 0.85 KMT2A (0.51) CHRM4KMT2AMEN1TSHRADRB2
SCHEMBL14387701 0.84 KDM4E (0.48) KMT2AMEN1TSHRPOLBACKR3
SCHEMBL13409679 0.84 PRKAA2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14078053 0.83 PRKAA2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 PRKAB2 426/4885PRKAG1 217/4885PRKAA2 1437/4885

“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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