SCHEMBL7015877

SCHEMBL7015877

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.38
HTR1A P08908 3/20 0.32
HTR6 P50406 3/20 0.32
HTR7 P34969 2/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ENPP2 Q13822 4/20 0.31

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
SCHEMBL7014922 0.96 TACR1 (0.38) TACR1HTR1AHTR6HTR7ITGB3
SCHEMBL7017321 0.85 TACR1 (0.40) TACR1ITGB3ITGA2BENPP2
SCHEMBL7013608 0.83 CCR5 (0.38) TACR1
SCHEMBL7109118 0.79 CCR5 (0.37) TACR1
SCHEMBL17140591 0.76 TACR1 (0.55) TACR1ENPP2
SCHEMBL7016683 0.75 ELANE (0.40) TACR1
SCHEMBL7013914 0.71 ITGB3 (0.37) TACR1ITGB3ITGA2BENPP2
SCHEMBL17140557 0.68 ENPP2 (0.42) TACR1ENPP2
SCHEMBL17140717 0.64 ENPP2 (0.42) TACR1ENPP2
SCHEMBL3642681 0.64 MEN1 (0.40) HTR1AHTR7

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 TACR1 1484/4885HTR1A 2113/4885HTR6 1194/4885

“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.