SCHEMBL5125461

SCHEMBL5125461

N#CC1(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.53
GPR139 Q6DWJ6 1/20 0.51
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
KCNH2 Q12809 3/20 0.49

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
SCHEMBL5114479 0.76 CCR2 (0.60) CCR2ALDH1A1
SCHEMBL14528425 0.75 GPR139 (0.62) CCR2GPR139HTTL3MBTL1ALDH1A1
SCHEMBL14528906 0.75 GPR139 (0.66) CCR2GPR139HTTL3MBTL1ALDH1A1
SCHEMBL3695894 0.75 CCR2 (0.58) CCR2GPR139HTTL3MBTL1ALDH1A1
SCHEMBL743634 0.74 CCR2 (0.50) CCR2GPR139HTTL3MBTL1ALDH1A1
SCHEMBL27457044 0.73 POLB (0.68) GPR139ALDH1A1POLB
Hydrochloric Acid SCHEMBL764702 0.73 CCR2 (0.49) CCR2GPR139HTTL3MBTL1ALDH1A1
SCHEMBL30407428 0.73 POLB (0.67) CCR2GPR139HTTL3MBTL1ALDH1A1
SCHEMBL613062 0.73 POLB (0.67) CCR2GPR139HTTL3MBTL1ALDH1A1
SCHEMBL5115524 0.73 CCR2 (0.61) CCR2

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-7449493-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMACEUTICAL COMPANY (US) 2008-11-11 US disclosed
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CARTER PERCY 2005-12-22 US disclosed
US-6974836-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
EP-1351924-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-10-15 EP disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 US disclosed
WO-2002050019-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2002-06-27 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-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 CCR2 3/4885GPR139 68/4885HTT 4449/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 CCR2 3/4885GPR139 61/4885HTT 4475/4885

“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.