SCHEMBL14045658

SCHEMBL14045658

CC1(N2CCC3(CC2)OCCO3)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.33
ALDH1A1 P00352 4/20 0.32
POLB P06746 3/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3844090 0.80 KMT2A (0.33) KDM4EKMT2APOLB
SCHEMBL3652178 0.76 ALDH1A1 (0.38) KDM4EKMT2AALDH1A1OPRM1OPRL1
SCHEMBL3756826 0.76 ALDH1A1 (0.38) KDM4EKMT2AALDH1A1OPRM1OPRL1
SCHEMBL2752263 0.75 ALDH1A1 (0.39) KMT2AALDH1A1
SCHEMBL27466489 0.75 CCR5 (0.36) KMT2AOPRM1OPRL1
SCHEMBL4551091 0.74 KMT2A (0.45) KMT2AHPGDALDH1A1POLBCYP2C19
SCHEMBL1515302 0.74 GRIN1 (0.37) KMT2AOPRM1OPRL1
SCHEMBL6496554 0.74 GRIN1 (0.37) KMT2AOPRM1OPRL1
SCHEMBL633802 0.74 GRIN1 (0.37) KMT2AOPRM1OPRL1
SCHEMBL10862803 0.74 OPRM1 (0.33) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors NOVARTIS AG 2008-10-09 US disclosed
US-7399771-B2 Piperidine derivatives as CCR5 inhibitors NOVARTIS AG (CH) 2008-07-15 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 (1 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-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors CCR5, CCR2, CCR1 KDM4E 4680/4885KMT2A 4091/4885HPGD 1016/4885

“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.