SCHEMBL3556044

SCHEMBL3556044

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.48
RXFP1 Q9HBX9 1/20 0.46
HTR2A P28223 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
SLC6A9 P48067 1/20 0.44
CCR5 P51681 2/20 0.44
HSD17B10 Q99714 1/20 0.43
CTSD P07339 1/20 0.43
C5AR1 P21730 1/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3555691 0.90 NPSR1 (0.44) LMNASMN1; SMN2CTSDMAPK1TP53
SCHEMBL3554476 0.90 LMNA (0.45) HTR2ALMNACCR5TP53
SCHEMBL3556717 0.89 CCR5 (0.45) POLBHTR2ACCR5TP53MAPT
SCHEMBL3556349 0.88 CCR5 (0.52) POLBRXFP1HTR2ALMNASMN1; SMN2
SCHEMBL301764 0.86 MEN1 (0.45) POLBRXFP1HTR2ALMNASMN1; SMN2
SCHEMBL3560963 0.84 NAMPT (0.46) POLBRXFP1HTR2ALMNASMN1; SMN2
SCHEMBL3563793 0.83 RXFP1 (0.48) POLBRXFP1HTR2ALMNASMN1; SMN2
SCHEMBL3558081 0.83 HTR2A (0.49) RXFP1HTR2ALMNACCR5MAPT
SCHEMBL3555629 0.81 RXFP1 (0.42) POLBRXFP1HTR2ALMNASMN1; SMN2
SCHEMBL3562435 0.81 L3MBTL1 (0.53) POLBRXFP1HTR2ALMNASMN1; SMN2

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 POLB 4709/4885RXFP1 232/4885HTR2A 119/4885

“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.