SCHEMBL7013608

SCHEMBL7013608

CN1C(=O)N(CCCBr)C2(CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.38
TACR1 P25103 3/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
NPC1L1 Q9UHC9 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
GPR119 Q8TDV5 5/20 0.34
USP30 Q70CQ3 1/20 0.34
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL7109118 0.97 CCR5 (0.37) CCR5TACR1USP2SMN1; SMN2KDM4E
SCHEMBL4130653 0.87 CCR5 (0.39) CCR5TACR1USP2SMN1; SMN2KDM4E
SCHEMBL7015877 0.83 TACR1 (0.38) TACR1
SCHEMBL18940727 0.81 ENPP2 (0.42) CCR5TACR1KDM4EMAPTTHRB
SCHEMBL17140401 0.79 ENPP2 (0.37) CCR5TACR1KDM4EMAPTTHRB
SCHEMBL17140769 0.77 BACE1 (0.36) CCR5TACR1KDM4EMAPTTHRB
SCHEMBL7016393 0.75 MEN1 (0.44) SMN1; SMN2GPR119
SCHEMBL6087981 0.74 USP2 (0.40) CCR5TACR1USP2SMN1; SMN2KDM4E
SCHEMBL4137608 0.73 USP2 (0.39) CCR5TACR1USP2SMN1; SMN2KDM4E
SCHEMBL17140990 0.72 CCR5 (0.49) CCR5TACR1NPC1L1GPR119USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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 (1 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH CCR5 3438/4885TACR1 1484/4885USP2 3336/4885

“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.