SCHEMBL3955490

SCHEMBL3955490

COc1cc2c(cc1CC=O)N(C)C(=O)OC2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
IMPDH2 P12268 1/20 0.34
OXTR P30559 3/20 0.34
HTT P42858 5/20 0.33
MAPT P10636 4/20 0.33
PDE4B Q07343 1/20 0.33
LMNA P02545 3/20 0.32
HPGD P15428 2/20 0.32
PDE4D Q08499 2/20 0.32
KCNN2 Q9H2S1 3/20 0.31
KCNN3 Q9UGI6 3/20 0.31
KCNN1 Q92952 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3953471 0.89 CYP3A4 (0.42) CYP3A4MAPK1ALDH1A1OXTRMAPT
SCHEMBL6606409 0.80 LMNA (0.47) CYP3A4MAPK1ALDH1A1HTTMAPT
SCHEMBL3959111 0.78 CYP3A4 (0.35) CYP3A4MAPK1ALDH1A1OXTRPDE4B
SCHEMBL26654926 0.74 CYP3A4 (0.43) CYP3A4MAPK1ALDH1A1HTTMAPT
SCHEMBL4770993 0.70 PDE10A (0.46) LMNAHPGD
SCHEMBL21798818 0.70 TAAR1 (0.45) CYP3A4MAPK1ALDH1A1IMPDH2HTT
SCHEMBL6602559 0.68 LMNA (0.49) ALDH1A1OXTRMAPTLMNAHPGD
SCHEMBL30293275 0.68 LMNA (0.49) ALDH1A1OXTRMAPTLMNAHPGD
SCHEMBL13403399 0.67 CYP3A4 (0.52) CYP3A4ALDH1A1HTTMAPTGAA
SCHEMBL286469 0.64 IMPDH2 (0.48) CYP3A4MAPK1ALDH1A1IMPDH2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20050256103-A1 Indole derivative having piperidine ring EISAI CO., LTD. 2005-11-17 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 (2 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-20070219179-A1 Indole Derivative Having Piperidine Ring HTR5A, HTR2C, HTR1A CYP3A4 937/4885MAPK1 2779/4885ALDH1A1 310/4885
US-20050256103-A1 Indole derivative having piperidine ring HTR5A, HTR2C, HTR1A CYP3A4 736/4885MAPK1 2508/4885ALDH1A1 295/4885

“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.