SCHEMBL23839899

SCHEMBL23839899

CC(C)C[C@H](NC(=O)[C@@H](CCCCNCO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.64
▸ PTGS1 P23219 1/20 0.60
▸ KISS1R Q969F8 1/20 0.58
▸ CXCR4 P61073 7/20 0.58
▸ GNRHR P30968 2/20 0.57
▸ MC4R P32245 2/20 0.54
▸ ABCC2 Q92887 1/20 0.54
▸ NMBR P28336 1/20 0.54
▸ GRPR P30550 1/20 0.54
▸ MC5R P33032 1/20 0.53
▸ MC3R P41968 1/20 0.53
▸ MC1R Q01726 1/20 0.53
▸ GLP1R P43220 1/20 0.53
▸ GCGR P47871 1/20 0.53

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
SCHEMBL29619597 0.95 C5AR1 (0.67) C5AR1PTGS1KISS1RCXCR4GNRHR
SCHEMBL29942618 0.93 C5AR1 (0.64) C5AR1PTGS1KISS1RCXCR4GNRHR
SCHEMBL30271248 0.93 C5AR1 (0.64) C5AR1PTGS1KISS1RCXCR4GNRHR
SCHEMBL29459909 0.92 C5AR1 (0.67) C5AR1PTGS1KISS1RCXCR4GNRHR
SCHEMBL31351848 0.91 C5AR1 (0.68) C5AR1PTGS1CXCR4GNRHRMC4R
SCHEMBL29391299 0.91 C5AR1 (0.68) C5AR1PTGS1CXCR4GNRHRMC4R
Triptorelin SCHEMBL5079698 0.90 PTGS1 (0.74) C5AR1PTGS1KISS1RCXCR4GNRHR
Triptorelin SCHEMBL16815056 0.90 PTGS1 (0.74) C5AR1PTGS1KISS1RCXCR4GNRHR
Triptorelin SCHEMBL22289009 0.90 PTGS1 (0.74) C5AR1PTGS1KISS1RCXCR4GNRHR
Triptorelin SCHEMBL1371630 0.90 PTGS1 (0.74) C5AR1PTGS1KISS1RCXCR4GNRHR

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-20210290787-A1 MACROCYCLE CONJUGATES LUMIPHORE, INC. 2021-09-23 — — 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-20210290787-A1 MACROCYCLE CONJUGATES FOLH1, KLK3, CD47 C5AR1 1929/4885PTGS1 3282/4885KISS1R 124/4885

“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.

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