SCHEMBL13409111

SCHEMBL13409111

N=C(c1ccc(-c2ccccc2)cc1)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ TP53 P04637 2/20 0.45
▸ FASN P49327 1/20 0.45
▸ ADRB2 P07550 1/20 0.44
▸ CHRM4 P08173 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL13409979 0.94 KMT2A (0.55) KMT2AMEN1TSHRSMN1; SMN2CA12
SCHEMBL13409046 0.88 ALDH1A1 (0.48) KMT2AMEN1TSHRSMN1; SMN2CA12
SCHEMBL13409985 0.88 L3MBTL1 (0.51) KMT2AMEN1TSHRSMN1; SMN2CA12
SCHEMBL13409986 0.88 CYP3A4 (0.46) KMT2AMEN1TSHR
SCHEMBL13409748 0.87 CYP3A4 (0.46) KMT2AMEN1TSHR
SCHEMBL13409686 0.85 PRKAB2 (0.45) KMT2AMEN1TSHRADRB2CHRM4
SCHEMBL13409679 0.85 PRKAA2 (0.49) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL14387701 0.85 KDM4E (0.48) KMT2AMEN1TSHRSMN1; SMN2CA12
SCHEMBL13409997 0.84 MEN1 (0.46) KMT2AMEN1TSHRADRB2ALDH1A1
SCHEMBL14188194 0.83 KMT2A (0.46) KMT2AMEN1TSHRSMN1; SMN2HPGD

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 3 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
WO-2008108957-A2 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION (US) 2008-09-12 — — WO 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 KMT2A 3430/4885MEN1 4556/4885TSHR 2742/4885

“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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