SCHEMBL25554113

SCHEMBL25554113

CC(C)NCCNCCNC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TSHR P16473 2/20 0.32
CA3 P07451 1/20 0.31
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
USP2 O75604 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL22519416 0.94 ALDH1A1 (0.35) ARG1ARG2ALDH1A1TSHRUSP2
SCHEMBL30973705 0.82 CA5A (0.41) ALDH1A1TSHRCA3CA5ACA5B
SCHEMBL23397254 0.81 EPHX1 (0.41) ARG1ARG2ALDH1A1
SCHEMBL25554371 0.81 PAOX (0.45) ARG1ARG2ALDH1A1TSHRCA3
SCHEMBL19091384 0.81 EPHX1 (0.37) ARG1ARG2ALDH1A1TSHRTDP1
SCHEMBL27407746 0.79 BCAT2 (0.32) CA3CA5ACA5BTDP1
SCHEMBL25554409 0.78 KMT2A (0.37) ARG1ARG2ALDH1A1TSHRCA3
SCHEMBL21322189 0.77 CYP2D6 (0.43) ALDH1A1TSHRUSP2
SCHEMBL25554316 0.77 MAOA (0.45) ARG1ARG2TSHRTDP1
SCHEMBL17766691 0.76 LMNA (0.32) ALDH1A1CA3CA5ACA5BTDP1

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-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-25 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-20230159532-A1 PARATHYROID HORMONE (PTH) RECEPTOR ANTAGONISTS AND USES THEREOF PTH1R, CALCR, VDR ARG1 4172/4885ARG2 4564/4885ALDH1A1 4312/4885

“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.