SCHEMBL23975658

SCHEMBL23975658

Clc1nc2c(c(N3CCCOCC3)n1)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 5/20 0.48
HPGD P15428 3/20 0.44
TSHR P16473 3/20 0.43
LMNA P02545 4/20 0.41
HTR2C P28335 2/20 0.40
ACHE P22303 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
APP P05067 1/20 0.39
BCHE P06276 1/20 0.39
HTR2B P41595 1/20 0.39
HTT P42858 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL30225319 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDTSHRLMNA
SCHEMBL2266744 0.95 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTSHRLMNA
SCHEMBL30225185 0.84 HPGD (0.41) ALDH1A1KDM4EHPGDHTR2CACHE
SCHEMBL23975679 0.84 HPGD (0.41) ALDH1A1KDM4EHPGDHTR2CACHE
SCHEMBL25529505 0.82 HPGD (0.42) ALDH1A1KDM4EHPGDHTR2CACHE
SCHEMBL23493540 0.75 HTR2C (0.51) ALDH1A1TSHRLMNAHTR2CSMN1; SMN2
SCHEMBL26650736 0.75 HRH4 (0.34) ALDH1A1KDM4EHTR2C
SCHEMBL2710619 0.75 SMN1; SMN2 (0.40) ALDH1A1KDM4EHPGDTSHRLMNA
SCHEMBL2708151 0.75 MTOR (0.45) ALDH1A1KDM4EHPGDTSHRLMNA
SCHEMBL1836812 0.74 MTOR (0.50) KDM4EHTR2CSMN1; SMN2HTR2BNPSR1

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 7 patents. 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
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2022-12-15 US disclosed
WO-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
WO-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO 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 (3 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-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS SLC40A1, HAMP, SLC19A1 ALDH1A1 918/4885KDM4E 4699/4885HPGD 217/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI ALDH1A1 1674/4885KDM4E 4796/4885HPGD 245/4885
US-20220396562-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS HAMP, SLC40A1, FANCI ALDH1A1 1674/4885KDM4E 4796/4885HPGD 245/4885

“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.