SCHEMBL2492716

SCHEMBL2492716

COc1ccccc1C1(OCC(=O)N2CCN(c3cccnc3)CC2)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 6/20 0.49
ADAMTS5 Q9UNA0 6/20 0.49
ADAM17 P78536 3/20 0.49
MMP13 P45452 2/20 0.49
MMP2 P08253 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TACR3 P29371 1/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
GRM5 P41594 1/20 0.41
MAPK1 P28482 1/20 0.40
RBP4 P02753 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
SCHEMBL2496385 0.91 ADAM17 (0.49) ADAMTS5ADAM17MMP13MMP2MEN1
SCHEMBL2492747 0.86 ADAMTS5 (0.50) AVPR1BADAMTS5ADAM17MMP13MMP2
SCHEMBL2496707 0.86 KDM4E (0.54) ADAMTS5ADAM17MMP13MEN1KMT2A
SCHEMBL5675776 0.83 GRM5 (0.41) ADAMTS5ADAM17MMP13MMP2MEN1
SCHEMBL4085604 0.80 AVPR1B (0.68) AVPR1BADAMTS5ADAM17MMP13MMP2
SCHEMBL2499319 0.77 ADAM17 (0.50) AVPR1BADAMTS5ADAM17MMP13MMP2
SCHEMBL2493180 0.77 KMT2A (0.45) MEN1KMT2ALMNAPOLB
SCHEMBL12191762 0.75 AVPR1B (0.65) AVPR1B
Hydrochloric Acid SCHEMBL2496769 0.75 AVPR1B (0.64) AVPR1B
SCHEMBL2494093 0.74 ADAM17 (0.44) AVPR1BADAMTS5ADAM17MMP13MMP2

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-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 AVPR1B 1/4885ADAMTS5 1111/4885ADAM17 412/4885

“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.