SCHEMBL4790977

SCHEMBL4790977

O=C(O)N1CCC(N2C(=O)COc3cccnc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD74 P04233 2/20 0.43
CTSS P25774 2/20 0.43
SCN1A P35498 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
USP19 O94966 1/20 0.39
DRD2 P14416 2/20 0.37
KCNH2 Q12809 2/20 0.37
CHRM1 P11229 1/20 0.37
NR3C2 P08235 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 1/20 0.35
WNT3 P56703 1/20 0.35
OXTR P30559 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
CALCRL Q16602 1/20 0.34

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
SCHEMBL4716529 0.84 GPR119 (0.48) CD74CTSSKDM4E
SCHEMBL4716719 0.80 CD74 (0.40) CD74CTSSSCN1ASCN5ASCN9A
SCHEMBL15204408 0.78 RIPK1 (0.39) CD74CTSSNR3C2
SCHEMBL15204409 0.78 RIPK1 (0.39) CD74CTSSNR3C2
SCHEMBL5226380 0.75 NR3C2 (0.39) USP19NR3C2KDM4EALDH1A1KMT2A
SCHEMBL1450264 0.74 GPR119 (0.45)
SCHEMBL1450253 0.71 HTR1A (0.38) SCN1ASCN5ASCN9AKCNH2HTR6
SCHEMBL4710762 0.71 AVPR1A (0.43) CD74CTSSKCNH2OXTRMALT1
SCHEMBL15221669 0.71 ALDH1A1 (0.43) ALDH1A1
SCHEMBL29908458 0.70 PARP1 (0.39) CD74CTSSNR3C2ALDH1A1

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
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 EP disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 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 (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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 CD74 4745/4885CTSS 1766/4885SCN1A 72/4885

“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.