SCHEMBL4999846

SCHEMBL4999846

O=C(C1Cc2ccccc2N1)N1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 2/20 0.50
HPGD P15428 2/20 0.50
DPP4 P27487 3/20 0.49
FAP Q12884 1/20 0.49
HDAC2 Q92769 1/20 0.46
PREP P48147 6/20 0.42
POLB P06746 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL14073993 0.98 GAA (0.61) GAAMAPTTSHRHPGDDPP4
SCHEMBL14085098 0.87 GAA (0.58) GAAMAPTTSHRHPGDDPP4
SCHEMBL30358019 0.85 SMYD3 (0.52) GAAMAPTTSHRHPGDDPP4
SCHEMBL30357970 0.84 SMYD3 (0.53) GAAMAPTTSHRHPGDDPP4
SCHEMBL4996044 0.83 GAA (0.50) GAAMAPTTSHRHPGDPOLB
SCHEMBL4995170 0.83 GAA (0.50) GAAMAPTTSHRHPGDPOLB
SCHEMBL5002824 0.83 GAA (0.50) GAAMAPTTSHRHPGDPOLB
SCHEMBL5002696 0.83 GAA (0.50) GAAMAPTTSHRHPGDPOLB
SCHEMBL5005176 0.83 GAA (0.50) GAAMAPTTSHRHPGDPOLB
SCHEMBL7712960 0.82 GAA (0.59) GAAMAPTDPP4FAPHDAC2

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
US-20080221114-A1 2-(Cyclic Aminocarbonyl) Indoline Derivative and Medicinal Composition Containing the Same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-09-11 US disclosed
CN-101103019-A 2- (Cyclic aminocarbonyl) indoline derivative and pharmaceutical composition containing same DAINIPPON SUMITOMO PHARMA CO (JP) 2008-01-09 CN disclosed
EP-1840126-A1 2-(CYCLIC AMINOCARBONYL)INDOLINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-03 EP 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-20080221114-A1 2-(Cyclic Aminocarbonyl) Indoline Derivative and Medicinal Composition Containing the Same CYP11B2, CYP11B1, GRIN2A GAA 3365/4885MAPT 549/4885TSHR 460/4885

“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.