SCHEMBL3563793

SCHEMBL3563793

COc1ccc(CC(=O)N(C2CC2)C2CCN(CCNC(=O)Nc3cc(C)nc(C)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
CYP2D6 P10635 2/20 0.46
LMNA P02545 2/20 0.45
CCR5 P51681 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 4/20 0.44
MCHR1 Q99705 1/20 0.44
HSD17B10 Q99714 1/20 0.43
HTR2A P28223 2/20 0.43
CCR3 P51677 2/20 0.43
MAPK1 P28482 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 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
SCHEMBL3556349 0.92 CCR5 (0.52) RXFP1CYP2D6LMNACCR5SMN1; SMN2
SCHEMBL3566766 0.90 CNR1 (0.48) LMNACCR5SMN1; SMN2POLBCCR3
SCHEMBL3562203 0.84 MEN1 (0.44) RXFP1CYP2D6LMNASMN1; SMN2POLB
SCHEMBL3556044 0.83 POLB (0.48) RXFP1LMNACCR5SMN1; SMN2POLB
SCHEMBL3556125 0.83 POLB (0.45) RXFP1CYP2D6LMNASMN1; SMN2POLB
SCHEMBL3558081 0.83 HTR2A (0.49) RXFP1LMNACCR5HTR2ACCR3
SCHEMBL3560963 0.82 NAMPT (0.46) RXFP1CYP2D6LMNASMN1; SMN2POLB
SCHEMBL3558886 0.82 CCR5 (0.46) RXFP1CCR5SMN1; SMN2TP53
SCHEMBL3560700 0.81 CCR5 (0.51) CCR5SMN1; SMN2TP53MAPT
SCHEMBL3563710 0.81 CCR5 (0.51) CYP2D6LMNACCR5HTR2ACCR3

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 RXFP1 232/4885CYP2D6 493/4885LMNA 3456/4885

“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.