SCHEMBL21189504

SCHEMBL21189504

CC(C)(C)C(O)N1Cc2ccccc2-c2nnn(C(C)(C)C)c2-c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 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
SCHEMBL20991255 0.87 TSHR (0.34) NPSR1TSHRGAAUSP2TP53
SCHEMBL21082154 0.82 NPSR1 (0.33) NPSR1TSHRGAAUSP2TP53
SCHEMBL16980288 0.81 TSHR (0.33) NPSR1TSHRGAATP53MEN1
SCHEMBL24440155 0.81 TSHR (0.33) NPSR1TSHRGAATP53POLB
SCHEMBL20215065 0.79 HSD17B3 (0.47)
SCHEMBL24974795 0.79 MAP3K5 (0.32) NPSR1TSHRGAAUSP2TP53
SCHEMBL19604395 0.78 HSD17B3 (0.35) NPSR1TSHR
SCHEMBL25979383 0.78 TSHR (0.31) NPSR1TSHRPOLB
SCHEMBL20991239 0.78 MEN1 (0.32) NPSR1TSHRTP53MEN1CYP3A4
SCHEMBL14296207 0.77 KMT2A (0.39) MEN1KMT2A

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-20190224329-A1 Incremental Dose Finding in Controlled-Release PTH Compounds ASCENDIS PHARMA BONE DISEASES A/S (DK) 2019-07-25 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-20190224329-A1 Incremental Dose Finding in Controlled-Release PTH Compounds PTH1R, CALCA, CALCB NPSR1 371/4885TSHR 284/4885GAA 3424/4885

“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.