SCHEMBL22772407

SCHEMBL22772407

CCNC(=O)C(=O)[C@@H]1CCCCCCCCCc2ccccc2C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.41
ACE P12821 5/20 0.41
ALDH1A1 P00352 1/20 0.40
MTNR1A P48039 3/20 0.39
TSHR P16473 1/20 0.37
F11 P03951 1/20 0.37
CYP2A6 P11509 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL22772401 1.00 MME (0.41) MMEACEALDH1A1MTNR1ATSHR
SCHEMBL22800060 1.00 MME (0.41) MMEACEALDH1A1MTNR1ATSHR
SCHEMBL22772409 0.87 F11 (0.39) MMEACEALDH1A1MTNR1ATSHR
SCHEMBL22772398 0.87 F11 (0.39) MMEACEALDH1A1MTNR1ATSHR
SCHEMBL22772408 0.87 F11 (0.39) MMEACEALDH1A1MTNR1ATSHR
SCHEMBL22772406 0.87 F11 (0.39) MMEACEALDH1A1MTNR1ATSHR
SCHEMBL22800248 0.80 ALDH1A1 (0.39) MMEACEALDH1A1MTNR1ATSHR
SCHEMBL22800234 0.80 ALDH1A1 (0.39) MMEACEALDH1A1MTNR1ATSHR
SCHEMBL22800174 0.79 KDM4E (0.44) MMEACEALDH1A1
SCHEMBL22800767 0.79 KDM4E (0.44) MMEACEALDH1A1

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-11292801-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-04-05 US disclosed
US-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 US disclosed
US-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 MME 1198/4885ACE 615/4885ALDH1A1 3918/4885
US-11292801-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN2, CAPN1 MME 1198/4885ACE 615/4885ALDH1A1 3918/4885

“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.