SCHEMBL27428897

SCHEMBL27428897

CC(=O)CC[C@H](NC(=O)C1(NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CCOCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccnc1)C(=O)N(C)CC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.38
▸ MC4R P32245 7/20 0.38
▸ GRB2 P62993 6/20 0.37
▸ KISS1R Q969F8 4/20 0.36
▸ LCK P06239 1/20 0.36
▸ PSMB8 P28062 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
SCHEMBL27428931 0.98 TACR1 (0.38) TACR1MC4RGRB2KISS1RLCK
SCHEMBL27428899 0.94 TACR1 (0.38) TACR1MC4RGRB2KISS1RPSMB8
SCHEMBL27428789 0.93 TACR1 (0.36) TACR1MC4RGRB2KISS1RLCK
SCHEMBL27429167 0.92 TACR1 (0.36) TACR1MC4RGRB2KISS1RLCK
SCHEMBL27430917 0.91 MC4R (0.41) TACR1MC4RGRB2KISS1R
SCHEMBL27429103 0.91 TACR1 (0.36) TACR1MC4RGRB2KISS1RLCK
SCHEMBL27429085 0.91 MC4R (0.39) TACR1MC4RGRB2KISS1R
SCHEMBL27389137 0.91 TACR1 (0.36) TACR1MC4RGRB2KISS1RLCK
SCHEMBL27433060 0.89 MC4R (0.38) TACR1MC4RGRB2KISS1R
SCHEMBL27437333 0.89 MC4R (0.38) TACR1MC4RGRB2KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 — — 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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE VIP, QPCT, PTMS TACR1 1278/4885MC4R 430/4885GRB2 1981/4885

“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.

Send feedback