Cyclomontanin A

Cyclomontanin A

SCHEMBL30139338

CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC1=O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.54
TACR2 P21452 4/20 0.54
OXTR P30559 1/20 0.53
KLKB1 P03952 3/20 0.52
EPS15 P42566 1/20 0.51
PDCD1 Q15116 3/20 0.49
CD274 Q9NZQ7 3/20 0.49
EPHA2 P29317 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NECTIN4 Q96NY8 1/20 0.47

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
Kawaguchipeptin B SCHEMBL29884999 0.91 KLKB1 (0.58) TACR1TACR2OXTRKLKB1PDCD1
SCHEMBL29385568 0.82 NECTIN4 (0.56) KLKB1NECTIN4
SCHEMBL29934180 0.82 ITGAV (0.50) EPHA2ITGB3ITGAV
SCHEMBL29420247 0.81 KDM4A (0.56) OXTRITGB3ITGAV
Segetalin A SCHEMBL151176 0.81 TACR1 (0.64) TACR1TACR2OXTRHDAC3HDAC4
SCHEMBL29553179 0.80 TACR1 (0.61) TACR1TACR2HDAC3HDAC4HDAC1
SCHEMBL8568487 0.80 OXTR (0.60) TACR1TACR2OXTRPDCD1CD274
Desotamide SCHEMBL28783907 0.79 OXTR (0.64) OXTREPHA2NECTIN4
SCHEMBL31717765 0.79 ROR1 (0.52) TACR1TACR2HDAC3HDAC1HDAC8
SCHEMBL24724872 0.78 PCSK9 (0.56) OXTRKLKB1PDCD1CD274EPHA2

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
CN-115477611-B MRGPRX2 antagonists for the treatment of pseudoallergy 香港大学 2024-11-08 CN disclosed
US-20220401435-A1 MRGPRX2 ANTAGONIST FOR THE TREATMENT OF PSEUDO ALLERGIC REACTIONS THE UNIVERSITY OF HONG KONG 2022-12-22 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-20220401435-A1 MRGPRX2 ANTAGONIST FOR THE TREATMENT OF PSEUDO ALLERGIC REACTIONS MRGPRX2, MRGPRX1, MRGPRX4 TACR1 326/4885TACR2 698/4885OXTR 1354/4885

“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.