Sugi Predict

Sugi Predict / Compounds / SCHEMBL13606397

SCHEMBL13606397

SCHEMBL13606397

CC(C)(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 4/20 0.75
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ MAPT P10636 5/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ HTT P42858 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ RAB9A P51151 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ PANK3 Q9H999 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ F2 P00734 1/20 0.46
▸ F10 P00742 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL4485074 0.95 CCR1 (0.68) CCR1SMN1; SMN2MAPTNPY2RHTT
SCHEMBL4493323 0.92 CCR1 (0.64) CCR1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL4493321 0.92 CCR1 (0.64) CCR1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL4492312 0.91 CCR1 (0.62) CCR1SMN1; SMN2MAPTHTTMEN1
SCHEMBL4492308 0.91 CCR1 (0.62) CCR1SMN1; SMN2MAPTHTTMEN1
SCHEMBL4501065 0.89 CCR1 (0.60) CCR1SMN1; SMN2MAPTNPY2RHTT
SCHEMBL4501059 0.89 CCR1 (0.60) CCR1SMN1; SMN2MAPTNPY2RHTT
SCHEMBL4502653 0.88 CCR1 (0.59) CCR1SMN1; SMN2MAPTNPY2RHTT
SCHEMBL4502651 0.88 CCR1 (0.59) CCR1SMN1; SMN2MAPTNPY2RHTT
SCHEMBL4500331 0.86 CCR1 (1.00) CCR1SMN1; SMN2MAPTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 — — US disclosed
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 — — US disclosed
US-7615556-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-10 — — US disclosed
US-7615556-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-10 — — US disclosed
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 — — US disclosed
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 — — 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-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 CCR1 3/4885SMN1; SMN2 4822/4885MAPT 4559/4885
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 CCR1 3/4885SMN1; SMN2 4822/4885MAPT 4559/4885

“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.