SCHEMBL4829663

SCHEMBL4829663

Cc1noc([C@H](N)Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
AKT1 P31749 6/20 0.42
CDK2 P24941 5/20 0.42
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
MAOB P27338 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
KIF11 P52732 2/20 0.38
TPH1 P17752 2/20 0.38
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
AAK1 Q2M2I8 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
SCHEMBL4832003 0.85 TPH1 (0.43) S1PR1MAOBDPP4TPH1PPARG
SCHEMBL4829762 0.84 CYP19A1 (0.43) TPH1
SCHEMBL4829650 0.83 SLC6A2 (0.42) MAOBDPP4DPP7
SCHEMBL4829454 0.81 CYP17A1 (0.43) DPP4TPH1
SCHEMBL4827762 0.79 S1PR1 (0.42) S1PR1DPP4DPP7
SCHEMBL3996630 0.78 DPP4 (0.38) AKT1DPP4
SCHEMBL4827765 0.78 DPP4 (0.38) AKT1DPP4
SCHEMBL18171815 0.78 ALDH1A1 (0.46)
SCHEMBL7512929 0.78 ALDH1A1 (0.46)
SCHEMBL7217449 0.78 ALDH1A1 (0.46)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO LMNA 3037/4885THRB 2947/4885AKT1 3774/4885

“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.