SCHEMBL21047488

SCHEMBL21047488

CN(C)C(=O)C1CCCN(C2CCCC23CC3)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.44
▸ ACKR3 P25106 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM2B Q8NHM5 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ DPP4 P27487 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ SYK P43405 2/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ MME P08473 1/20 0.31
▸ NOTUM Q6P988 1/20 0.30
▸ DGAT2 Q96PD7 1/20 0.30

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
SCHEMBL21047253 0.73 BCHE (0.44) BCHEACKR3ALDH1A1KDM2BSMN1; SMN2
SCHEMBL19814636 0.73 KDM2B (0.51) BCHEALDH1A1KDM2BSMN1; SMN2
SCHEMBL21047480 0.73 BCHE (0.46) BCHEACKR3ALDH1A1KDM2BSMN1; SMN2
SCHEMBL12225627 0.71 BCHE (0.56) BCHEALDH1A1SMN1; SMN2DPP4PIK3CD
SCHEMBL12225623 0.71 BCHE (0.56) BCHEALDH1A1SMN1; SMN2DPP4PIK3CD
SCHEMBL10202194 0.71 BCHE (0.56) BCHEALDH1A1SMN1; SMN2DPP4PIK3CD
SCHEMBL20284509 0.69 BCHE (0.51) BCHEALDH1A1SMN1; SMN2DPP4PIK3CD
SCHEMBL29775766 0.69 BCHE (0.51) BCHEALDH1A1SMN1; SMN2DPP4PIK3CD
SCHEMBL13654347 0.69 BCHE (0.51) BCHEALDH1A1SMN1; SMN2DPP4PIK3CD
SCHEMBL15321741 0.68 BCHE (0.50) BCHEALDH1A1DPP4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306078-B2 Piperidine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2022-04-19 — — US disclosed
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-10 — — US disclosed
US-10752620-B2 Piperdine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2020-08-25 — — US disclosed
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2019-06-06 — — 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 (4 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-11306078-B2 Piperidine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 BCHE 4812/4885ACKR3 3/4885ALDH1A1 434/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 BCHE 4812/4885ACKR3 3/4885ALDH1A1 434/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 BCHE 4766/4885ACKR3 3/4885ALDH1A1 428/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 BCHE 4766/4885ACKR3 3/4885ALDH1A1 428/4885

“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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