SCHEMBL5212840

SCHEMBL5212840

Cc1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.57
AVPR1A P37288 2/20 0.55
THRB P10828 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
GPR119 Q8TDV5 2/20 0.52
TP53 P04637 3/20 0.51
MAPT P10636 1/20 0.51
STS P08842 1/20 0.50
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGDS O60760 1/20 0.48

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
SCHEMBL5215842 0.82 AVPR1A (0.59) BRD4AVPR1ATHRBSMN1; SMN2GAA
SCHEMBL5762606 0.82 THRB (0.54) BRD4THRBSMN1; SMN2GAAGPR119
SCHEMBL5761938 0.77 THRB (0.54) BRD4THRBSMN1; SMN2GAAGPR119
SCHEMBL4343857 0.76 HPGDS (0.55) BRD4THRBSMN1; SMN2GAAGPR119
SCHEMBL10189899 0.76 MEN1 (0.56) AVPR1ATHRBSMN1; SMN2GAAGPR119
SCHEMBL10189920 0.76 GPR119 (0.52) AVPR1ATHRBSMN1; SMN2GAAGPR119
SCHEMBL14514081 0.75 SMN1; SMN2 (0.70) BRD4THRBSMN1; SMN2GAAGPR119
SCHEMBL3843148 0.74 NAMPT (0.66) THRBSMN1; SMN2GAAGPR119TP53
SCHEMBL7550572 0.74 GPR119 (0.49) THRBSMN1; SMN2GAAGPR119TP53
SCHEMBL3844975 0.74 CCR1 (0.64) GAATP53MAPTLMNA

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-1558598-B1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LTD (GB) 2007-07-18 EP disclosed
US-7084145-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-08-01 US disclosed
US-20040162278-A1 Triazole compounds useful in therapy PFIZER INC 2004-08-19 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-20040162278-A1 Triazole compounds useful in therapy AVPR2, AVPR1B, AVPR1A BRD4 905/4885AVPR1A 3/4885THRB 79/4885

“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.