SCHEMBL6324178

SCHEMBL6324178

Cc1[nH]c2ccc(CCN3CCC(O)CC3)cc2c1C(=O)OC(C)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
PDGFRB P09619 2/20 0.38
FGFR1 P11362 2/20 0.38
PDGFRA P16234 2/20 0.38
FLT1 P17948 2/20 0.38
FGFR3 P22607 2/20 0.38
KDR P35968 2/20 0.38
TERT O14746 3/20 0.37
KCNH2 Q12809 1/20 0.37
OPRM1 P35372 4/20 0.37
ALOX15 P16050 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL6316848 0.91 LMNA (0.41) AVPR1BSMN1; SMN2LMNATERTALOX15
SCHEMBL6323464 0.91 ENPP2 (0.39) AVPR1BSMN1; SMN2LMNAPDGFRBFGFR1
SCHEMBL6320492 0.91 LMNA (0.40) AVPR1BSMN1; SMN2LMNAPDGFRBFGFR1
SCHEMBL6316289 0.87 KCNH2 (0.39) AVPR1BSMN1; SMN2LMNATERTKCNH2
SCHEMBL6322877 0.87 ALDH1A1 (0.40) SMN1; SMN2LMNAPDGFRBFGFR1PDGFRA
SCHEMBL6323321 0.87 AVPR1B (0.38) AVPR1BSMN1; SMN2LMNATERTKCNH2
SCHEMBL6314657 0.85 CCR5 (0.38) AVPR1BSMN1; SMN2LMNAOPRM1NR1H4
SCHEMBL6316813 0.85 SMN1; SMN2 (0.39) SMN1; SMN2LMNAPDGFRBFGFR1PDGFRA
SCHEMBL6315846 0.84 SMN1; SMN2 (0.40) SMN1; SMN2LMNAPDGFRBFGFR1PDGFRA
SCHEMBL6316995 0.84 ALDH1A1 (0.41) LMNAOPRM1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951848-B2 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC., (US) 2005-10-04 US claimed
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-04-07 US claimed
EP-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP claimed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US claimed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 WO claimed
US-6951848-B2 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC., (US) 2005-10-04 US disclosed
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
EP-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP disclosed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US disclosed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 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-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 AVPR1B 76/4885SMN1; SMN2 4576/4885LMNA 4828/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 AVPR1B 85/4885SMN1; SMN2 4694/4885LMNA 4803/4885

“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.