SCHEMBL3559947

SCHEMBL3559947

CCc1cc(NC(=O)NCCN2CCC(N(CC)C(=O)C(C)(C)c3ccc(Cl)cc3)CC2)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.42
MAPT P10636 5/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1H O95180 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL3553993 0.94 CNR1 (0.46) CNR1MAPTTP53SMN1; SMN2KDM4E
SCHEMBL3555801 0.86 CNR1 (0.47) CNR1MAPTTP53SMN1; SMN2KDM4E
SCHEMBL3556510 0.86 CCR5 (0.47) CNR1MAPTTP53SMN1; SMN2KCNH2
SCHEMBL3557526 0.84 CNR1 (0.42) CNR1MAPTTP53SMN1; SMN2LMNA
SCHEMBL3560700 0.80 CCR5 (0.51) CNR1MAPTTP53SMN1; SMN2KCNH2
SCHEMBL3552546 0.79 CCR5 (0.46) MAPT
SCHEMBL3560822 0.78 UTS2R (0.42) MAPTTP53UBE2MDCUN1D1
SCHEMBL3563441 0.76 RAB9A (0.42) CNR1MAPTTP53KDM4E
SCHEMBL3565680 0.76 CNR1 (0.48) CNR1MAPTTP53SMN1; SMN2LMNA
SCHEMBL3555629 0.75 RXFP1 (0.42) MAPTTP53SMN1; SMN2LMNAMAPK1

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.