SCHEMBL654744

SCHEMBL654744

COC(=O)C1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TSHR P16473 2/20 0.51
STS P08842 2/20 0.51
ALOX15 P16050 1/20 0.51
ATM Q13315 1/20 0.51
HSD11B1 P28845 2/20 0.48
OPRM1 P35372 1/20 0.48
DRD2 P14416 3/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TET3 O43151 1/20 0.44
FBXL19 Q6PCT2 1/20 0.44
CXXC5 Q7LFL8 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
CXXC4 Q9H2H0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44

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
SCHEMBL192143 0.93 KMT2A (0.47) KMT2AMEN1TSHRSTSALOX15
SCHEMBL26930433 0.88 TSHR (0.51) TSHRALOX15ATMHSD11B1
SCHEMBL31382020 0.88 TSHR (0.51) KMT2AMEN1TSHRALOX15ATM
SCHEMBL654813 0.87 KMT2A (0.59) KMT2AMEN1TSHRSTSALOX15
SCHEMBL653532 0.87 KMT2A (0.54) KMT2AMEN1TSHRSTSALOX15
SCHEMBL971790 0.87 TSHR (0.65) KMT2AMEN1TSHRALOX15ATM
SCHEMBL31382332 0.87 OPRM1 (0.51) TSHRALOX15ATMHSD11B1OPRM1
SCHEMBL654889 0.86 KMT2A (0.53) KMT2AMEN1TSHRSTSALOX15
SCHEMBL31382358 0.86 TSHR (0.50) KMT2AMEN1TSHRSTSALOX15
SCHEMBL31382726 0.85 TSHR (0.51) TSHRALOX15ATMHSD11B1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 US disclosed
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 US disclosed
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-13 US disclosed
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-13 US disclosed
WO-2018081384-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-03 WO disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
WO-2007073432-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-06-28 WO disclosed
WO-2007044804-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US disclosed
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2007-03-15 US disclosed
CN-1911930-A Chemokine receptor anagonists, methods and use therefor MILLENNIUM PHARM INC (US) 2007-02-14 CN disclosed
EP-1688418-A2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-09 EP disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 US disclosed
CN-1585772-A Chemokine receptor antagonists and methods and uses thereof MILLENNIUM PHARM INC (US) 2005-02-23 CN disclosed
EP-1448566-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-25 EP disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 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 (7 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-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors SCN7A, SCN1A, SCN8A KMT2A 1848/4885MEN1 3321/4885TSHR 3245/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 KMT2A 4568/4885MEN1 4716/4885TSHR 972/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 KMT2A 4640/4885MEN1 4609/4885TSHR 1180/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 KMT2A 4568/4885MEN1 4716/4885TSHR 972/4885
US-20070088036-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 KMT2A 4268/4885MEN1 4709/4885TSHR 3325/4885
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS SCN7A, SCN1A, SCN8A KMT2A 1848/4885MEN1 3321/4885TSHR 3245/4885
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation THPO, NFATC1, HPGDS KMT2A 1082/4885MEN1 4673/4885TSHR 3038/4885

“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.