SCHEMBL14629720

SCHEMBL14629720

I[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
KDM4E B2RXH2 3/20 0.51
MAPT P10636 4/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.50
SIGMAR1 Q99720 3/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ESR1 P03372 2/20 0.49
PGR P06401 1/20 0.49
ACHE P22303 1/20 0.49
GRIN2B Q13224 1/20 0.49
KIF11 P52732 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL18085040 0.81 ALDH1A1 (0.51) ADRA1DADRA1AADRA1BKDM4EMAPT
SCHEMBL3240544 0.79 ESR1 (0.54) ADRA1DADRA1AADRA1BKDM4EMAPT
SCHEMBL23875966 0.76 KIF11 (0.63) KDM4EMAPTGAAMEN1LMNA
SCHEMBL13747991 0.76 MAPT (0.57) KDM4EMAPTGAAALDH1A1SIGMAR1
SCHEMBL6074444 0.73 PDE5A (0.63) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6407258 0.73 PDE5A (0.63) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL10682913 0.73 ACHE (0.54) ADRA1DADRA1AADRA1BGAASIGMAR1
SCHEMBL5527250 0.72 MAPT (0.75) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL2508073 0.72 MAPT (0.75) KDM4EMAPTGAAALDH1A1MEN1
SCHEMBL11190706 0.72 ADRA2C (0.49) KDM4EMAPTALDH1A1POLBMEN1

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-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-18 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-20070015798-A1 Efficient and stereoselective process for large scale synthesis of (3R)-3-(2,3-dihydrobenzofuran-5-yl)-1,2,3,4-tetrahydropyrrolo[3,4-b]quinolin-9-one derivatives PDE5A, PDE3A, PDE3B ADRA1D 210/4885ADRA1A 242/4885ADRA1B 176/4885

“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.