SCHEMBL3553993

SCHEMBL3553993

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
MAPT P10636 7/20 0.44
TP53 P04637 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CACNA1H O95180 1/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
POLB P06746 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL3559947 0.94 CNR1 (0.42) CNR1MAPTTP53SMN1; SMN2KDM4E
SCHEMBL3555801 0.92 CNR1 (0.47) CNR1MAPTTP53SMN1; SMN2KDM4E
SCHEMBL3560700 0.85 CCR5 (0.51) CNR1MAPTTP53SMN1; SMN2KCNH2
SCHEMBL3565680 0.80 CNR1 (0.48) CNR1MAPTTP53SMN1; SMN2LMNA
SCHEMBL3556510 0.80 CCR5 (0.47) CNR1MAPTTP53SMN1; SMN2KCNH2
SCHEMBL3566766 0.79 CNR1 (0.48) CNR1MAPTTP53SMN1; SMN2LMNA
SCHEMBL3556717 0.79 CCR5 (0.45) MAPTTP53UBE2MDCUN1D1POLB
SCHEMBL3556576 0.78 CCR5 (0.47) MAPTKCNH2UBE2MDCUN1D1
SCHEMBL3565794 0.78 CCR5 (0.45) MAPTTP53UBE2MDCUN1D1POLB
SCHEMBL3557526 0.78 CNR1 (0.42) CNR1MAPTTP53SMN1; SMN2LMNA

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 CNR1 16/4885MAPT 1151/4885TP53 4821/4885

“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.