SCHEMBL4817811

SCHEMBL4817811

O=C1CCc2ccc(CN3CCN(CCC(F)(F)F)CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
MAOB P27338 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PBRM1 Q86U86 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CHKA P35790 2/20 0.37
IL4I1 Q96RQ9 1/20 0.36
HTR6 P50406 1/20 0.36
ACHE P22303 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4815397 0.84 LMNA (0.49) HRH3ALDH1A1PBRM1CHKAHTR6
SCHEMBL4814699 0.83 HRH3 (0.47) HRH3PBRM1SIGMAR1CHKAIL4I1
SCHEMBL4814489 0.81 HRH3 (0.56) HRH3ALDH1A1KDM4EPBRM1ACHE
SCHEMBL4894879 0.80 ALDH1A1 (0.49) HRH3ALDH1A1KDM4EPBRM1IL4I1
SCHEMBL4814854 0.80 CRBN (0.50) HRH3PBRM1SIGMAR1IL4I1HTR6
SCHEMBL4818862 0.80 HRH3 (0.44) HRH3ALDH1A1PBRM1CHKA
SCHEMBL4817712 0.80 HRH3 (0.53) HRH3
SCHEMBL4817999 0.78 HRH3 (0.47) HRH3MAOBALDH1A1DRD2SIGMAR1
SCHEMBL4820190 0.77 KDM4E (0.48) HRH3ALDH1A1KDM4EPBRM1
SCHEMBL4818654 0.76 HRH3 (0.40) HRH3MAOBALDH1A1KDM4EPBRM1

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 HRH3 2235/4885MAOB 1261/4885ALDH1A1 3901/4885

“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.