SCHEMBL7078636

SCHEMBL7078636

Cc1cc(-c2ccccc2)nn1CCC(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.48
ALDH1A1 P00352 2/20 0.42
ACACB O00763 4/20 0.41
ACACA Q13085 2/20 0.41
CYP2C9 P11712 1/20 0.41
PTGER1 P34995 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41

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
SCHEMBL3221703 0.82 BRD9 (0.39) BRD9ALDH1A1CYP2C9PTGER1GABRP
SCHEMBL1436794 0.76 HTT (0.40) BRD9ALDH1A1HTTHSD17B10KDM4E
SCHEMBL1435856 0.76 SMN1; SMN2 (0.44) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL3049884 0.73 GRM5 (0.38) BRD9GABRG2GABRB3GABRA5GABRA3
SCHEMBL17619511 0.73 ALDH1A1 (0.56) BRD9ALDH1A1ACACBACACAGABRP
SCHEMBL1313637 0.73 BRD9 (0.46) BRD9ALDH1A1ACACBACACAGABRP
SCHEMBL5708297 0.72 LATS1 (0.41) BRD9ALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL4889199 0.72 SMN1; SMN2 (0.47) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL1314087 0.71 SMN1; SMN2 (0.47) BRD9ALDH1A1ACACBACACAPOLB
SCHEMBL1314007 0.71 BRD9 (0.44) BRD9ALDH1A1ACACBACACAGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 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-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 BRD9 4597/4885ALDH1A1 133/4885ACACB 1617/4885

“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.