SCHEMBL4900762

SCHEMBL4900762

O=C(O)C1CNCCN1Cc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
CYP2D6 P10635 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GBA1 P04062 1/20 0.40
SLC6A4 P31645 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL30867774 0.87 GRM6 (0.48) ALDH1A1MAPTMEN1KMT2ASLC6A4
SCHEMBL2438024 0.87 GRM6 (0.48) ALDH1A1MAPTMEN1KMT2ASLC6A4
SCHEMBL4900649 0.84 KDM4E (0.51) KDM4EALDH1A1MAPTCHRNB2CHRNA4
SCHEMBL21315843 0.81 RORC (0.47) RORCKDM4EALDH1A1MAPTCYP2D6
SCHEMBL21315844 0.81 RORC (0.47) RORCKDM4EALDH1A1MAPTCYP2D6
SCHEMBL2028510 0.78 KDM4E (0.52) RORCKDM4EALDH1A1MEN1KMT2A
SCHEMBL1820435 0.78 KDM4E (0.52) RORCKDM4EALDH1A1MEN1KMT2A
SCHEMBL27712915 0.78 SIGMAR1 (0.47) ALDH1A1MAPTMEN1KMT2ASLC6A4
SCHEMBL4899837 0.77 L3MBTL1 (0.51) KDM4EALDH1A1MAPTSLC6A4
SCHEMBL1243297 0.77 HPGD (0.41) KDM4EALDH1A1MAPTCYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175765-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2022-06-09 US disclosed
US-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators ECKL ROBERT 2008-08-28 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 (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-20220175765-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA RORC 2/4885KDM4E 2636/4885ALDH1A1 167/4885
US-20080207630-A1 2-Aminocarbonyl Substituted Piperazine or Diaza-Cyclic Compounds as Apoptosis Protein Inhibitors (Iap) Modulators API5, BCL2, BIRC5 RORC 3544/4885KDM4E 3213/4885ALDH1A1 3485/4885

“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.