SCHEMBL25568535

SCHEMBL25568535

COCC1(C)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
CCR5 P51681 1/20 0.41
YTHDC1 Q96MU7 1/20 0.40
KMT2A Q03164 2/20 0.39
GRIN2B Q13224 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
OPRM1 P35372 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
DRD2 P14416 1/20 0.37
SLC6A3 Q01959 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
TACR1 P25103 1/20 0.36
EBP Q15125 1/20 0.36

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
SCHEMBL1543235 0.84 YTHDC1 (0.42) KDM4EATMNPSR1TDP1SLC6A4
SCHEMBL31266701 0.82 KDM4E (0.45) KDM4EATMNPSR1TDP1SLC6A4
SCHEMBL20697131 0.82 KDM4E (0.45) KDM4EATMNPSR1TDP1SLC6A4
SCHEMBL383264 0.78 CCR5 (0.47) KDM4EATMNPSR1TDP1SLC6A4
SCHEMBL20576050 0.78 KDM4E (0.47) KDM4EATMNPSR1TDP1SLC6A4
SCHEMBL24678312 0.78 KDM4E (0.47) KDM4EATMNPSR1TDP1SLC6A4
SCHEMBL383265 0.78 CCR5 (0.47) KDM4EATMNPSR1TDP1SLC6A4
SCHEMBL2144199 0.78 CCR5 (0.47) KDM4EATMNPSR1TDP1SLC6A4
SCHEMBL1543272 0.75 SLC6A2 (0.42) KDM4EATMNPSR1TDP1SLC6A4
SCHEMBL3376962 0.75 YTHDC1 (0.58) KDM4EATMNPSR1TDP1SLC6A4

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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM KDM4E 4015/4885ATM 2443/4885NPSR1 2104/4885

“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.