SCHEMBL4435638

SCHEMBL4435638

CCC(C(=O)O)C1CCN(c2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.46
ITGA2B P08514 12/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
CHKA P35790 1/20 0.42
LSS P48449 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL21384585 0.81 L3MBTL1 (0.49)
SCHEMBL7329592 0.79 CHKA (0.47) ITGB3ITGA2BHRH3CYP2C9TSHR
SCHEMBL8633125 0.79 F10 (0.52) HRH3TSHRDPP4DPP8DPP9
SCHEMBL1976988 0.78 AKR1C3 (0.46)
SCHEMBL23030554 0.77 CHKA (0.48) ITGB3ITGA2BHRH3CYP2C9TSHR
SCHEMBL7334680 0.77 CHKA (0.52) ITGB3ITGA2BHRH3CYP2C9TSHR
SCHEMBL8698089 0.76 ITGB3 (0.43) ITGB3ITGA2BHRH3CYP2C9TSHR
SCHEMBL8631652 0.76 ITGB3 (0.51) ITGB3ITGA2BHRH3DPP4DPP8
SCHEMBL8635011 0.75 ITGB3 (0.48) ITGB3ITGA2BHRH3CYP2C9TSHR
SCHEMBL17730142 0.75 CPB2 (0.42) HRH3CYP2C9

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-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 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-20050282808-A1 Benzofuran derivative F12, F2, F11 ITGB3 1145/4885ITGA2B 839/4885HRH3 648/4885

“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.