SCHEMBL12464288

SCHEMBL12464288

CCOC1CCN(CCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
NPC1 O15118 1/20 0.38
HRH1 P35367 1/20 0.37
CARM1 Q86X55 9/20 0.36
PRMT6 Q96LA8 9/20 0.36
ALDH1A1 P00352 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2114252 0.89 HRH1 (0.40) NPC1HRH1CARM1PRMT6HRH3
SCHEMBL22477411 0.83 HRH3 (0.45) NPC1CARM1PRMT6HRH3TMEM97
SCHEMBL12464727 0.80 GNAO1 (0.47) NPC1
SCHEMBL22138607 0.80 NPC1 (0.38) NPC1CARM1PRMT6HRH3TMEM97
SCHEMBL17672834 0.80 NPC1 (0.38) NPC1CARM1PRMT6HRH3TMEM97
SCHEMBL26493872 0.79 NPC1 (0.43) SLC18A3NPC1HRH1CARM1PRMT6
SCHEMBL4569263 0.79 SLC18A3 (0.43) SLC18A3HRH1CARM1PRMT6ALDH1A1
SCHEMBL24658475 0.79 GBA1 (0.36) ALDH1A1KDM4E
SCHEMBL25698067 0.79 CCR5 (0.36) NPC1CARM1PRMT6HRH3TMEM97
SCHEMBL7903518 0.79 HRH3 (0.43) NPC1CARM1PRMT6HRH3TMEM97

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022173756-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2022-08-18 WO disclosed
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2018-06-19 US disclosed
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 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 (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-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS AR, SHBG, NR5A1 SLC18A3 1018/4885NPC1 981/4885HRH1 231/4885
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 SLC18A3 1018/4885NPC1 981/4885HRH1 231/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B SLC18A3 4303/4885NPC1 2505/4885HRH1 2178/4885

“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.