SCHEMBL21047480

SCHEMBL21047480

CN(C)C(=O)C1CCCN(C2CC(C)(C)C2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.42
▸ KDM2B Q8NHM5 6/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ACKR3 P25106 3/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ SYK P43405 2/20 0.34
▸ DPP4 P27487 1/20 0.33

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 0.85 BCHE (0.44) BCHEALDH1A1KDM2BSMN1; SMN2ACKR3
SCHEMBL19814636 0.82 KDM2B (0.51) BCHEALDH1A1KDM2BSMN1; SMN2MEN1
SCHEMBL12225627 0.73 BCHE (0.56) BCHEALDH1A1SMN1; SMN2DPP4
SCHEMBL10202194 0.73 BCHE (0.56) BCHEALDH1A1SMN1; SMN2DPP4
SCHEMBL12225623 0.73 BCHE (0.56) BCHEALDH1A1SMN1; SMN2DPP4
SCHEMBL21047488 0.73 BCHE (0.44) BCHEALDH1A1KDM2BSMN1; SMN2ACKR3
SCHEMBL21047419 0.72 ALDH1A1 (0.56) ALDH1A1KDM2BSMN1; SMN2MEN1KMT2A
SCHEMBL13654347 0.71 BCHE (0.51) BCHEALDH1A1SMN1; SMN2SYKDPP4
SCHEMBL20284509 0.71 BCHE (0.51) BCHEALDH1A1SMN1; SMN2SYKDPP4
SCHEMBL29775766 0.71 BCHE (0.51) BCHEALDH1A1SMN1; SMN2SYKDPP4

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 4812/4885ALDH1A1 434/4885KDM2B 3060/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 BCHE 4812/4885ALDH1A1 434/4885KDM2B 3060/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 BCHE 4766/4885ALDH1A1 428/4885KDM2B 2947/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 BCHE 4766/4885ALDH1A1 428/4885KDM2B 2947/4885

“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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