SCHEMBL19985024

SCHEMBL19985024

NC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.43
P2RX7 Q99572 3/20 0.42
EIF4A3 P38919 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
NR1H2 P55055 5/20 0.40
NR1H3 Q13133 5/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL19971955 0.86 P2RX7 (0.44) SLC6A9P2RX7EIF4A3NR1H2NR1H3
SCHEMBL19985023 0.84 SLC6A9 (0.47) SLC6A9EIF4A3NR1H2NR1H3CA12
SCHEMBL19971958 0.83 MAPT (0.47) HTT
SCHEMBL18286135 0.74 HSP90AA1 (0.52) P2RX7TSHRHTT
SCHEMBL22055741 0.73 POLB (0.57) SLC6A9TSHRHTTNR1H2NR1H3
SCHEMBL19985025 0.73 ABCB1 (0.43) P2RX7EIF4A3TSHRHTT
SCHEMBL18436642 0.70 MEN1 (0.55) SLC6A9TSHRHTTNR1H2NR1H3
SCHEMBL18283321 0.69 PREP (0.62) TSHRNAMPT
SCHEMBL3781730 0.68 SLC6A9 (0.43) SLC6A9NR1H2NR1H3
SCHEMBL18286158 0.68 PREP (0.58) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079730-A1 ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES SHIFA BIOMEDICAL CORP (US) 2018-03-22 US 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-20180079730-A1 ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES PCSK9, PCSK7, PCSK6 SLC6A9 4318/4885P2RX7 4831/4885EIF4A3 4688/4885

“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.