SCHEMBL21047253

SCHEMBL21047253

CN(C)C(=O)C1CCCN(C2CC3(CCC3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ KDM2B Q8NHM5 5/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DGAT2 Q96PD7 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 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
SCHEMBL21047480 0.85 BCHE (0.46) BCHEALDH1A1ACKR3KDM2BSMN1; SMN2
SCHEMBL19814636 0.80 KDM2B (0.51) BCHEALDH1A1KDM2BSMN1; SMN2MEN1
SCHEMBL5009495 0.78 ALDH1A1 (0.55) ALDH1A1KDM2BSMN1; SMN2MEN1KMT2A
SCHEMBL5004431 0.77 ALDH1A1 (0.54) ALDH1A1KDM2BSMN1; SMN2MEN1KMT2A
SCHEMBL21047551 0.76 ALDH1A1 (0.57) ALDH1A1KDM2BSMN1; SMN2MEN1KMT2A
SCHEMBL21047488 0.73 BCHE (0.44) BCHEALDH1A1ACKR3KDM2BSMN1; SMN2
SCHEMBL12225623 0.71 BCHE (0.56) BCHEALDH1A1SMN1; SMN2
SCHEMBL10202194 0.71 BCHE (0.56) BCHEALDH1A1SMN1; SMN2
SCHEMBL12225627 0.71 BCHE (0.56) BCHEALDH1A1SMN1; SMN2
SCHEMBL20284509 0.69 BCHE (0.51) BCHEALDH1A1SMN1; SMN2DGAT2

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 434/4885ACKR3 3/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 BCHE 4812/4885ALDH1A1 434/4885ACKR3 3/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 BCHE 4766/4885ALDH1A1 428/4885ACKR3 3/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 BCHE 4766/4885ALDH1A1 428/4885ACKR3 3/4885

“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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