SCHEMBL4811484

SCHEMBL4811484

O=C1CCc2ccc(CN3CCN(C(=O)CN4CCSCC4)CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
DRD4 P21917 4/20 0.42
DRD2 P14416 3/20 0.42
KDM4E B2RXH2 3/20 0.39
HTT P42858 3/20 0.39
PBRM1 Q86U86 1/20 0.39
FAAH O00519 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL4820190 0.87 KDM4E (0.48) ALDH1A1KDM4EPBRM1SMN1; SMN2HRH3
SCHEMBL4814888 0.87 TSHR (0.49) ALDH1A1DRD4DRD2KDM4EHTT
SCHEMBL4815663 0.79 HRH3 (0.48) ALDH1A1PBRM1FAAHHRH3
SCHEMBL4814820 0.78 FAAH (0.46) ALDH1A1KDM4EHTTPBRM1FAAH
SCHEMBL4896210 0.76 AKR1C3 (0.60) ALDH1A1FAAHSMN1; SMN2HRH3TSHR
SCHEMBL4815397 0.75 LMNA (0.49) ALDH1A1PBRM1LMNAHRH3
SCHEMBL4819242 0.75 KDM4E (0.56) ALDH1A1KDM4EUSP2SMN1; SMN2HRH3
SCHEMBL4814489 0.75 HRH3 (0.56) ALDH1A1KDM4EHTTPBRM1SMN1; SMN2
SCHEMBL4816573 0.74 GPR119 (0.55) SMN1; SMN2HRH3
SCHEMBL4894879 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EPBRM1SMN1; SMN2HRH3

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-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 ALDH1A1 3901/4885DRD4 4842/4885DRD2 4803/4885

“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.