SCHEMBL21047360

SCHEMBL21047360

CC(C)CN1CCCC(C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL23557645 1.00 KMT2A (0.51) KMT2AALDH1A1SMN1; SMN2POLBCYP1A2
SCHEMBL12443041 0.89 POLB (0.47) KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL12002343 0.88 KMT2A (0.50) KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL25664008 0.86 KMT2A (0.48) KMT2AALDH1A1POLB
SCHEMBL25664007 0.86 KMT2A (0.48) KMT2AALDH1A1POLB
SCHEMBL12000475 0.85 KMT2A (0.48) KMT2AALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL12320825 0.85 SLC6A1 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL7389564 0.85 SLC6A1 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL30006184 0.85 KMT2A (0.64) KMT2AALDH1A1SMN1; SMN2
SCHEMBL1828277 0.81 ALDH1A1 (0.46) KMT2AALDH1A1CYP1A2CYP2D6CYP2C9

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 KMT2A 3133/4885ALDH1A1 434/4885SMN1; SMN2 4303/4885
US-20200385373-A1 PIPERIDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 KMT2A 3133/4885ALDH1A1 434/4885SMN1; SMN2 4303/4885
US-20190169180-A1 PIPERDINE CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, ACKR3 KMT2A 3120/4885ALDH1A1 428/4885SMN1; SMN2 4095/4885
US-10752620-B2 Piperdine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 KMT2A 3120/4885ALDH1A1 428/4885SMN1; SMN2 4095/4885

“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.