SCHEMBL4200455

SCHEMBL4200455

CCC1(N2CCC(N(Cc3ccccc3)C(=O)C3CC3)CC2)CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.59
OPRM1 P35372 9/20 0.55
KCNH2 Q12809 2/20 0.48
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4203655 0.88 CCR5 (0.61) CCR5OPRM1KCNH2TMEM97SIGMAR1
SCHEMBL4203659 0.84 CCR5 (0.58) CCR5OPRM1KCNH2
SCHEMBL13853354 0.82 CCR5 (0.56) CCR5OPRM1KCNH2
SCHEMBL13853365 0.81 CCR5 (0.61) CCR5OPRM1KCNH2
SCHEMBL4189593 0.81 CCR5 (0.66) CCR5OPRM1KCNH2
Hydrochloric Acid SCHEMBL4193534 0.80 CCR5 (0.60) CCR5OPRM1KCNH2
SCHEMBL4198203 0.79 OPRM1 (0.62) CCR5OPRM1KCNH2
SCHEMBL4193616 0.75 OPRM1 (0.70) CCR5OPRM1KCNH2
SCHEMBL4205420 0.74 CCR5 (0.60) CCR5OPRM1KCNH2
SCHEMBL13853351 0.73 CCR5 (0.54) CCR5OPRM1KCNH2TMEM97SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 2009-05-14 US disclosed
US-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 2009-05-14 US disclosed
US-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 2009-05-14 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-20090124635-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CCR2 CCR5 1/4885OPRM1 60/4885KCNH2 2799/4885

“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.