SCHEMBL3878038

SCHEMBL3878038

O=C1CN(C[C@@H]2CCCC[C@H]2NC(=O)Nc2ccc3[nH]ncc3c2)C(=O)C(Cc2ccccc2)N1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.56
ROCK2 O75116 7/20 0.47
ROCK1 Q13464 7/20 0.47
CCR2 P41597 1/20 0.45
NPY1R P25929 1/20 0.44

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
SCHEMBL3878042 1.00 CCR3 (0.56) CCR3ROCK2ROCK1CCR2NPY1R
SCHEMBL3881302 0.93 CCR3 (0.67) CCR3
SCHEMBL3879377 0.85 CCR3 (0.62) CCR3ROCK2ROCK1CCR2
SCHEMBL3879373 0.85 CCR3 (0.62) CCR3ROCK2ROCK1CCR2
SCHEMBL3881547 0.78 CCR3 (0.73) CCR3
SCHEMBL3880502 0.77 CCR3 (0.56) CCR3CCR2
SCHEMBL3880507 0.77 CCR3 (0.56) CCR3CCR2
SCHEMBL3891784 0.76 CCR3 (0.66) CCR3
SCHEMBL6217369 0.74 CCR3 (0.84) CCR3
SCHEMBL6217372 0.74 CCR3 (0.84) CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974869-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US claimed
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity DELUCCA GEORGE V 2005-11-24 US claimed
US-20030144277-A1 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-31 US claimed
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
US-6974869-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity DELUCCA GEORGE V 2005-11-24 US disclosed
US-20030144277-A1 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-31 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 (2 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-20030144277-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 CCR3 1/4885ROCK2 3721/4885ROCK1 2722/4885
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 CCR3 1/4885ROCK2 3637/4885ROCK1 2938/4885

“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.