SCHEMBL3554476

SCHEMBL3554476

CCN(C(=O)c1ccc(F)cc1)C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CCR3 P51677 8/20 0.45
HTR2A P28223 2/20 0.43
EPHX2 P34913 1/20 0.42
TP53 P04637 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
CCR5 P51681 2/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL3556717 0.91 CCR5 (0.45) CCR3HTR2ATP53UBE2MDCUN1D1
SCHEMBL3556044 0.90 POLB (0.48) LMNAHTR2ATP53CCR5
SCHEMBL3563710 0.88 CCR5 (0.51) LMNACCR3HTR2ATP53CCR5
SCHEMBL3555691 0.86 NPSR1 (0.44) LMNATP53
SCHEMBL3557281 0.83 NAMPT (0.47) LMNAKDM4EALDH1A1CCR3HTR2A
SCHEMBL3561058 0.80 CCR3 (0.47) LMNAKDM4EALDH1A1CCR3HTR2A
SCHEMBL3567009 0.80 CCR5 (0.49) HTR2ACCR5
SCHEMBL3561910 0.80 HTR2A (0.51) LMNAKDM4EALDH1A1CCR3HTR2A
SCHEMBL3563837 0.80 CCR5 (0.54) LMNAKDM4EALDH1A1CCR3HTR2A
SCHEMBL3564522 0.79 CCR3 (0.45) LMNAKDM4EALDH1A1CCR3HTR2A

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-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US claimed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US claimed
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 LMNA 3456/4885KDM4E 1861/4885ALDH1A1 2078/4885

“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.