SCHEMBL5839017

SCHEMBL5839017

CC1(C)OC[C@@H]([C@@H]2CN2C(=O)OCc2ccccc2)O1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ELANE P08246 3/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
AGTR2 P50052 2/20 0.42
F2 P00734 2/20 0.42
CTSG P08311 1/20 0.42
PREP P48147 2/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL13208704 0.79 NPC1 (0.41) HTR2CMEN1KMT2ANPSR1ELANE
SCHEMBL1669072 0.78 MEN1 (0.57) HTR2CMEN1KMT2ANPSR1TMEM97
SCHEMBL72092 0.78 MEN1 (0.57) HTR2CMEN1KMT2ANPSR1TMEM97
SCHEMBL9173427 0.77 AGTR2 (0.47) HTR2CMEN1KMT2ANPSR1ELANE
SCHEMBL9173431 0.77 AGTR2 (0.47) HTR2CMEN1KMT2ANPSR1ELANE
SCHEMBL5149957 0.77 AGTR2 (0.47) HTR2CMEN1KMT2ANPSR1ELANE
SCHEMBL5155368 0.76 MEN1 (0.43) HTR2CMEN1KMT2ANPSR1ELANE
SCHEMBL914595 0.75 SMN1; SMN2 (0.56) HTR2CMEN1KMT2ANPSR1
SCHEMBL6961448 0.75 SMN1; SMN2 (0.56) HTR2CMEN1KMT2ANPSR1
SCHEMBL2621368 0.75 MEN1 (0.53) HTR2CMEN1KMT2ANPSR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167277-A1 New aziridine derivatives and their preparation methods SAMCHULLY PHARM. CO., LTD. (KR) 2006-07-27 US disclosed
US-7049447-B2 Aziridine derivatives and their preparation methods SAMCHULLY PHARM. CO.,LTD. (KR) 2006-05-23 US disclosed
US-20040097480-A1 Aziridine derivatives and their preparation methods SAMCHULLY PHARM. CO., LTD. (KR) 2004-05-20 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 (2 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-20060167277-A1 New aziridine derivatives and their preparation methods AAAS, AZI2, ATXN2L HTR2C 120/4885MEN1 4087/4885KMT2A 792/4885
US-20040097480-A1 Aziridine derivatives and their preparation methods AZI2, AAAS, HRH2 HTR2C 322/4885MEN1 3313/4885KMT2A 1787/4885

“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.