SCHEMBL4491041

SCHEMBL4491041

CC(C)(C)C(N)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
CCR1 P32246 1/20 0.57
HTT P42858 4/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.53
TP53 P04637 2/20 0.52
PANK3 Q9H999 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALOX12 P18054 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL4491038 1.00 MAPT (0.58) MAPTSMN1; SMN2CCR1HTTMAPK1
SCHEMBL4487672 0.85 CCR1 (0.61) MAPTSMN1; SMN2CCR1HTTMAPK1
SCHEMBL4487677 0.85 CCR1 (0.61) MAPTSMN1; SMN2CCR1HTTMAPK1
SCHEMBL18701803 0.79 MAPT (0.65) MAPTSMN1; SMN2HTTMAPK1RAB9A
SCHEMBL5745429 0.79 FAAH (0.53) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL5745427 0.79 FAAH (0.53) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL4510356 0.78 CCR1 (0.71) MAPTSMN1; SMN2CCR1HTTMAPK1
SCHEMBL4510352 0.78 CCR1 (0.71) MAPTSMN1; SMN2CCR1HTTMAPK1
SCHEMBL626652 0.77 HTR1A (0.67) MAPTSMN1; SMN2HTTMAPK1RAB9A
SCHEMBL18711281 0.77 MAPT (0.70) MAPTSMN1; SMN2HTTMAPK1RAB9A

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-8609664-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2013-12-17 US disclosed
EP-1973880-B1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-08-07 EP 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
EP-1973880-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Brystol-Myers Squibb Company (US) 2008-10-01 EP disclosed
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 US disclosed
WO-2007087585-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-02 WO 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 MAPT 4559/4885SMN1; SMN2 4822/4885CCR1 3/4885
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 MAPT 4559/4885SMN1; SMN2 4822/4885CCR1 3/4885

“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.