SCHEMBL31369755

SCHEMBL31369755

N[C@@H](Cc1cn(CC2CC2)c2ccccc12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
ALDH1A1 P00352 1/20 0.60
RECQL P46063 1/20 0.60
ADAM17 P78536 1/20 0.47
ICMT O60725 3/20 0.47
CNR1 P21554 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
PTGS2 P35354 1/20 0.46
PADI4 Q9UM07 1/20 0.46
HTR6 P50406 2/20 0.46

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
SCHEMBL3848256 0.95 MAPT (0.57) MAPTALDH1A1RECQLADAM17ICMT
SCHEMBL25356185 0.81 MAPT (0.65) MAPTALDH1A1RECQLICMTPTGS2
SCHEMBL29552404 0.81 ALDH1A1 (0.65) MAPTALDH1A1RECQLKMT2AKDM4E
SCHEMBL28365671 0.81 CDC25A (0.56) ALDH1A1ICMTCNR1HDAC3HDAC4
SCHEMBL1519918 0.81 MAPT (0.69) MAPTALDH1A1RECQLICMTPTGS2
SCHEMBL1519915 0.81 MAPT (0.69) MAPTALDH1A1RECQLICMTPTGS2
SCHEMBL29982985 0.81 ALDH1A1 (0.65) MAPTALDH1A1RECQLICMTPTGS2
SCHEMBL22188707 0.81 ALDH1A1 (0.65) MAPTALDH1A1RECQLKMT2AKDM4E
SCHEMBL22188706 0.81 ALDH1A1 (0.65) MAPTALDH1A1RECQLKMT2AKDM4E
SCHEMBL26008292 0.81 MAPT (0.65) MAPTALDH1A1RECQLICMTPTGS2

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MAPT 1809/4885ALDH1A1 4472/4885RECQL 4189/4885

“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.