SCHEMBL3560290

SCHEMBL3560290

CCN(C(=O)Cc1cccs1)C1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
UTS2R Q9UKP6 1/20 0.38
CCR5 P51681 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
CNR1 P21554 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3567009 0.86 CCR5 (0.49) OPRD1CCR5
SCHEMBL3565794 0.83 CCR5 (0.45) POLBCCR5ALDH1A1MEN1KMT2A
SCHEMBL3563710 0.83 CCR5 (0.51) CCR5LMNA
SCHEMBL3560700 0.83 CCR5 (0.51) SMN1; SMN2CCR5CNR1
SCHEMBL3555246 0.82 CCR5 (0.46) SMN1; SMN2CCR5ALDH1A1LMNAMEN1
SCHEMBL3556576 0.82 CCR5 (0.47) CCR5
SCHEMBL3556349 0.82 CCR5 (0.52) OPRM1POLBSMN1; SMN2CCR5LMNA
SCHEMBL3558081 0.81 HTR2A (0.49) OPRM1CCR5ALDH1A1KDM4ELMNA
SCHEMBL3552546 0.81 CCR5 (0.46) POLBCCR5
SCHEMBL3556717 0.81 CCR5 (0.45) OPRM1POLBUTS2RCCR5MEN1

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 OPRM1 160/4885OPRD1 96/4885OPRK1 72/4885

“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.