SCHEMBL26229682

SCHEMBL26229682

CCc1ccc2c(c1)CCN2C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ S1PR1 P21453 1/20 0.38
▸ TP53 P04637 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ SMAD3 P84022 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTR2C P28335 1/20 0.35

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
SCHEMBL25000183 0.83 S1PR1 (0.41) SRD5A1ALDH1A1MAPTGAACASP1
SCHEMBL12049122 0.81 PARP11 (0.40) ALDH1A1MAPTGAACASP1HTT
SCHEMBL21018476 0.78 ALDH1A1 (0.40) SRD5A1ALDH1A1MAPTGAACASP1
SCHEMBL28308999 0.77 NOTUM (0.51) SRD5A1ALDH1A1HTTTSHRMEN1
SCHEMBL13112863 0.77 NOTUM (0.43) SRD5A1ALDH1A1MAPTGAAALOX15
SCHEMBL13203632 0.77 SRD5A1 (0.49) SRD5A1ALDH1A1MAPTGAACASP1
SCHEMBL12049074 0.76 NOTUM (0.53) ALDH1A1HTTL3MBTL1HTR2CHTR2B
SCHEMBL13547889 0.76 ATAD2 (0.44) ALDH1A1MAPTGAACASP1HTT
SCHEMBL12049079 0.76 NOTUM (0.53) SRD5A1HTR2CHTR2BNOTUMAVPR1A
SCHEMBL12233420 0.76 SRD5A1 (0.43) SRD5A1HTR2CHTR2BNOTUM

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-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 — — 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-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI SRD5A1 1633/4885ALDH1A1 1674/4885MAPT 4441/4885

“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.

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