SCHEMBL13409824

SCHEMBL13409824

N=C(c1ccccc1F)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALOX15 P16050 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL13409680 0.89 KMT2A (0.52) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL13409831 0.88 CYP3A4 (0.42) MEN1TSHRKMT2ACYP3A4
SCHEMBL13409992 0.88 CYP3A4 (0.47) MEN1TSHRKMT2ACYP3A4
SCHEMBL13409825 0.86 MEN1 (0.44) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL13409979 0.85 KMT2A (0.55) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL14078588 0.84 KDM4E (0.47) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL13392090 0.84 KDM4E (0.47) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL13409986 0.84 CYP3A4 (0.46) MEN1TSHRKMT2AKDM4ECYP3A4
SCHEMBL8416759 0.83 MEN1 (0.49) MEN1TSHRKMT2ATP53SMN1; SMN2
SCHEMBL13410000 0.82 MEN1 (0.47) MEN1TSHRKMT2ATP53SMN1; SMN2

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 MEN1 4556/4885TSHR 2742/4885KMT2A 3430/4885

“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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