SCHEMBL25825627

SCHEMBL25825627

CC1CCCCC1NCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 1/20 0.35
KDM4E B2RXH2 4/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 5/20 0.33
HTT P42858 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MLYCD O95822 1/20 0.32
POLB P06746 1/20 0.32
TAS1R2 Q8TE23 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 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
SCHEMBL16978964 0.86 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL13866403 0.78 SSTR3 (0.31) SMN1; SMN2
SCHEMBL15315437 0.77 HTR1A (0.39) SMN1; SMN2CA1CA2CA4
SCHEMBL21799915 0.77 ANPEP (0.42) CA1CA2
SCHEMBL15315438 0.77 ANPEP (0.42) CA1CA2
SCHEMBL1760526 0.77 TSHR (0.44) TSHRNPSR1EPHX1TAS1R3TAS1R1
SCHEMBL10293237 0.75 FUCA1 (0.43) TSHRNPSR1EPHX1TAS1R3TAS1R1
SCHEMBL10069387 0.75 FUCA1 (0.43) TSHRNPSR1EPHX1TAS1R3TAS1R1
SCHEMBL19381478 0.75 ALDH1A1 (0.47) TSHRNPSR1EPHX1TAS1R3TAS1R1
SCHEMBL10151965 0.75 FUCA1 (0.43) TSHRNPSR1EPHX1TAS1R3TAS1R1

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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 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-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 TSHR 665/4885NPSR1 3807/4885EPHX1 3281/4885

“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.