SCHEMBL13391598

SCHEMBL13391598

CCON=C(c1ccccn1)C1CCN(C(=O)C2CCN(C(C)c3ccnc(N)c3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 6/20 0.41
▸ CCR5 P51681 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TBK1 Q9UHD2 2/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL13391202 0.91 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13409694 0.91 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13390965 0.91 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13391261 0.91 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13409692 0.91 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13391111 0.91 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13391222 0.91 ACKR3 (0.42) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL14215579 0.87 ACKR3 (0.41) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL13391005 0.84 ACKR3 (0.47) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL14077875 0.84 CYP3A4 (0.49) —

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 6 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-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-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 — — US disclosed
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 — — US disclosed
US-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 — — 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 (2 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 ACKR3 2293/4885CCR5 521/4885ALDH1A1 564/4885
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS HRH2, HRH1, HRH4 ACKR3 67/4885CCR5 74/4885ALDH1A1 522/4885

“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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