SCHEMBL6316289

SCHEMBL6316289

Cc1[nH]c2ccc(CCN3CCC(O)CC3)cc2c1C(=O)OC(C)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AVPR1B P47901 1/20 0.38
ALOX5 P09917 3/20 0.38
CNR1 P21554 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TERT O14746 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
CYP51A1 Q16850 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6315846 0.92 SMN1; SMN2 (0.40) LMNASMN1; SMN2TERTSPHK1GAA
SCHEMBL6322877 0.91 ALDH1A1 (0.40) LMNASMN1; SMN2KMT2AMEN1
SCHEMBL6322706 0.91 LMNA (0.41) LMNASMN1; SMN2ALOX5CNR1KMT2A
SCHEMBL6324066 0.90 TSHR (0.41) LMNASMN1; SMN2ALOX5CNR1KMT2A
SCHEMBL6314419 0.90 LMNA (0.38) KCNH2LMNASMN1; SMN2TERTSPHK1
SCHEMBL6323321 0.89 AVPR1B (0.38) KCNH2LMNASMN1; SMN2AVPR1BALOX5
SCHEMBL6324178 0.87 AVPR1B (0.39) KCNH2LMNASMN1; SMN2AVPR1BTERT
SCHEMBL6323464 0.86 ENPP2 (0.39) KCNH2LMNASMN1; SMN2AVPR1BTERT
SCHEMBL6314657 0.86 CCR5 (0.38) LMNASMN1; SMN2AVPR1BKMT2AMEN1
SCHEMBL6316995 0.85 ALDH1A1 (0.41) LMNAKMT2AGAA

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 8 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
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US 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 KCNH2 4102/4885LMNA 4828/4885SMN1; SMN2 4576/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 KCNH2 4154/4885LMNA 4803/4885SMN1; SMN2 4694/4885

“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.