SCHEMBL21047487

SCHEMBL21047487

CC(C)CCN1CCCC(C(=O)N(C)C)C1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.66
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.41
KDM2B Q8NHM5 3/20 0.40
HSD17B10 Q99714 1/20 0.40
CCR5 P51681 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13102206 0.84 BCHE (0.78) BCHEKDM2B
Bromide SCHEMBL10773365 0.83 BCHE (0.86) BCHE
SCHEMBL12320825 0.83 SLC6A1 (0.50) KDM4EALDH1A1HSD17B10
SCHEMBL29312335 0.83 HSD17B10 (0.46) BCHEKDM4EALDH1A1HSD17B10CCR5
SCHEMBL7389564 0.83 SLC6A1 (0.50) KDM4EALDH1A1HSD17B10
SCHEMBL13995264 0.81 BCHE (0.64) BCHEKDM4EALDH1A1KDM2BSMN1; SMN2
SCHEMBL19815625 0.81 BCHE (0.68) BCHEKDM4EALDH1A1HTTKDM2B
SCHEMBL21047445 0.81 BCHE (0.64) BCHEKDM4EALDH1A1HTTKDM2B
SCHEMBL771548 0.80 BCHE (0.62) BCHEKDM4EALDH1A1HTTKDM2B
SCHEMBL14505196 0.77 BCHE (0.59) BCHEKDM4EALDH1A1HTTKDM2B

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 4812/4885KDM4E 3969/4885ALDH1A1 434/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 BCHE 4812/4885KDM4E 3969/4885ALDH1A1 434/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 BCHE 4766/4885KDM4E 4194/4885ALDH1A1 428/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 BCHE 4766/4885KDM4E 4194/4885ALDH1A1 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.