SCHEMBL6497972

SCHEMBL6497972

CN(C)C=Cc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.47
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.40
BACE1 P56817 1/20 0.39
PDE7A Q13946 1/20 0.38
ACHE P22303 4/20 0.38
BCHE P06276 3/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MMP14 P50281 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL7407755 1.00 PTGS2 (0.47) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL11837114 0.88 ATM (0.50) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL11837128 0.88 ATM (0.50) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL8200453 0.85 AHR (0.48) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL11264900 0.83 TSHR (0.53) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL11264895 0.83 TSHR (0.53) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL8957884 0.83 ALDH1A1 (0.61) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL9848580 0.83 ALDH1A1 (0.61) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL6616919 0.82 PTGS2 (0.40) PTGS2TDP1ATMMAPTALDH1A1
SCHEMBL6616923 0.82 PTGS2 (0.40) PTGS2TDP1ATMMAPTALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844338-B2 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-20030225068-A1 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY 2003-12-04 US disclosed
EP-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
EP-1286992-A1 PIPERIDYINDOLES AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY (US) 2003-03-05 EP disclosed
US-20010053783-A1 Central nervous system disorders FAIRHURST JOHN (GB) 2001-12-20 US disclosed
EP-0971717-B1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed
WO-2001087881-A1 PIPERIDYINDOLES AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY (US) 2001-11-22 WO disclosed
EP-1131321-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2001-09-12 EP disclosed
US-6166040-A Indole compounds ELI LILLY AND COMPANY LIMITED (GB) 2000-12-26 US disclosed
WO-1999058525-A1 INDOLE DERIVATIVES AS 5-HT2A LIGANDS AND AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY LIMITED (GB) 1999-11-18 WO disclosed
US-5929072-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-27 US disclosed
WO-1999010346-A1 BENZOTHIADIAZINYL-INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 1999-03-04 WO disclosed
EP-0897921-A1 Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands ELI LILLY AND COMPANY LIMITED (GB) 1999-02-24 EP disclosed
WO-1998031686-A1 SUBSTITUTED 4-(6-FLUORO-(1H)-INDOL-3-YL)-1,2,3,6-TETRAHYDROPYRIDINE FOR THE TREATMENT OF CNS-DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-07-23 WO disclosed
EP-0854146-A1 Substituted 4-(6-fluoro-[1H]-indol-3-yl)-1,2,3,6-tetrahydropyridine for the treatment of CNS-disorders ELI LILLY AND COMPANY LIMITED (GB) 1998-07-22 EP disclosed
WO-1998007433-A1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-26 WO disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 US disclosed
US-4904684-A 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4,5-tetrahydropyrrolo[3,2,1-hi]indole derivatives useful as antidiabetic agents SYNTHELABO (FR) 1990-02-27 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-20030225068-A1 Piperidyindoles as serotonin receptor ligands CNR1, HTR1D, HTR1A PTGS2 2444/4885TDP1 3959/4885ATM 4082/4885
US-20010053783-A1 Central nervous system disorders CNR1, PMP22, CNR2 PTGS2 2892/4885TDP1 1145/4885ATM 4151/4885

“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.