SCHEMBL18546870

SCHEMBL18546870

CN1CCCN2CCN(CCCN(Cc3ccc(CN4CCN5CCN(C)CCN(CC5)CC4)cc3)CC2)CC1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHKA P35790 14/20 0.77
CA2 P00918 1/20 0.73
NCF1 P14598 1/20 0.73
PRMT6 Q96LA8 1/20 0.73
KDM4E B2RXH2 1/20 0.65
LMNA P02545 1/20 0.61
MC4R P32245 1/20 0.59
HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL12203051 1.00 CHKA (0.77) CHKACA2NCF1PRMT6KDM4E
SCHEMBL12203050 1.00 CHKA (0.77) CHKACA2NCF1PRMT6KDM4E
SCHEMBL14144697 0.94 CHKA (0.69) CHKACA2NCF1PRMT6KDM4E
SCHEMBL12228678 0.92 CHKA (0.67) CHKACA2NCF1PRMT6KDM4E
SCHEMBL12203052 0.92 CHKA (0.67) CHKACA2NCF1PRMT6KDM4E
SCHEMBL1172508 0.92 MC4R (0.74) CHKACA2NCF1PRMT6KDM4E
SCHEMBL12018137 0.92 MC4R (0.74) CHKACA2NCF1PRMT6KDM4E
SCHEMBL12203047 0.88 CXCR4 (0.63) CHKACA2NCF1PRMT6KDM4E
SCHEMBL14612427 0.88 CHKA (0.75) CHKACA2NCF1PRMT6KDM4E
SCHEMBL12018071 0.88 MC4R (0.79) CHKACA2NCF1PRMT6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3337519-B1 COMPOSITIONS COMPRISING MACROCYCLE DERIVATIVES INCORPORATING BRIDGED MACROCYCLES AND METHODS OF PRODUCING AND USING SAME SOUTHWESTERN OKLAHOMA STATE UNIV (US) 2021-12-01 EP disclosed
US-20210179606-A1 COMPOSITIONS COMPRISING MACROCYCLE DERIVATIVES INCORPORATING BRIDGED MACROCYCLES AND METHODS OF PRODUCING AND USING SAME SOUTHWESTERN OKLAHOMA STATE UNIV (US) 2021-06-17 US disclosed
US-10927108-B2 Compositions comprising macrocycle derivatives incorporating bridged macrocycles and methods of producing and using same SOUTHWESTERN OKLAHOMA STATE UNIVERSITY (US) 2021-02-23 US disclosed
WO-2017030728-A1 COMPOSITIONS COMPRISING MACROCYCLE DERIVATIVES INCORPORATING BRIDGED MACROCYCLES AND METHODS OF PRODUCING AND USING SAME SOUTHWESTERN OKLAHOMA STATE UNIVERSITY (US) 2017-02-23 WO 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-10927108-B2 Compositions comprising macrocycle derivatives incorporating bridged macrocycles and methods of producing and using same HCCS, CYCS, CYC1 CHKA 302/4885CA2 3930/4885NCF1 2948/4885
US-20210179606-A1 COMPOSITIONS COMPRISING MACROCYCLE DERIVATIVES INCORPORATING BRIDGED MACROCYCLES AND METHODS OF PRODUCING AND USING SAME HCCS, CYCS, CYC1 CHKA 302/4885CA2 3930/4885NCF1 2948/4885

“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.