Cicletanine

Cicletanine

SCHEMBL637385

Cc1ncc2c(c1O)CO[C@@H]2c1ccc(Cl)cc1

nearest known ligand 0.36

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX3 P56373 1/20 0.36
MAPK1 P28482 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ADRA2A P08913 3/20 0.31
ADRA2B P18089 3/20 0.31
ADRA2C P18825 3/20 0.31
ADRA1D P25100 3/20 0.31
ADRA1A P35348 3/20 0.31
ADRA1B P35368 3/20 0.31
ALDH1A1 P00352 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
Cicletanine SCHEMBL16859315 1.00 MEN1 (0.36) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL637073 1.00 MEN1 (0.36) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL6060344 1.00 MEN1 (0.36) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL29915570 1.00 MEN1 (0.36) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL49794 1.00 MEN1 (0.36) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL387011 0.99 KDM4E (0.35) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL29633447 0.99 KDM4E (0.35) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL1649704 0.97 KDM4E (0.35) MEN1KMT2AKDM4ECYP1A2CYP2D6
Cicletanine SCHEMBL6479989 0.94 MEN1 (0.35) MEN1KMT2AKDM4ECYP1A2CYP2D6
SCHEMBL3798183 0.86 KDM4E (0.36) MEN1KMT2AKDM4ECYP1A2CYP2D6

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
EP-2326652-B1 NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS MERCK SHARP & DOHME (US) 2014-04-16 EP disclosed
US-8119806-B2 Cicletanine derivatives MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 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-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 MEN1 2133/4885KMT2A 1778/4885KDM4E 2254/4885

“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.