SCHEMBL6324244

SCHEMBL6324244

Cc1[nH]c2ccc(CCN3CCCCC3)cc2c1C(=O)OC(C)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 5/20 0.38
ALOX15 P16050 2/20 0.38
ESR2 Q92731 3/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL6315397 0.99 ALDH1A1 (0.42) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6315324 0.92 KMT2A (0.42) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6314264 0.91 ALDH1A1 (0.43) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6316813 0.91 SMN1; SMN2 (0.39) MAPTLMNASMN1; SMN2ALOX15PKM
SCHEMBL6322911 0.90 KMT2A (0.41) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6321137 0.89 ALDH1A1 (0.41) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6322800 0.88 ALDH1A1 (0.43) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6316994 0.87 LMNA (0.43) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6315004 0.87 ALDH1A1 (0.44) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6315276 0.86 LMNA (0.42) KMT2AMAPTALDH1A1LMNASMN1; SMN2

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 KMT2A 4021/4885MAPT 4780/4885ALDH1A1 672/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 KMT2A 3935/4885MAPT 4789/4885ALDH1A1 956/4885

“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.