SCHEMBL5090632

SCHEMBL5090632

C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.42
HTR1D P28221 7/20 0.42
HTR1B P28222 5/20 0.42
HTR2A P28223 3/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
NCF1 P14598 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR7 P34969 1/20 0.42
MTOR P42345 1/20 0.42
HTR3A P46098 1/20 0.42
HTR5A P47898 1/20 0.42
HTR6 P50406 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL6552882 1.00 HTR1A (0.42) HTR1AHTR1DHTR1BHTR2AHTR3E
SCHEMBL6552879 1.00 HTR1A (0.42) HTR1AHTR1DHTR1BHTR2AHTR3E
SCHEMBL6552931 0.90 HTR5A (0.46) HTR1AHTR1DHTR1BHTR2AHTR3E
SCHEMBL6552932 0.90 HTR5A (0.46) HTR1AHTR1DHTR1BHTR2AHTR3E
SCHEMBL6553062 0.90 HTR5A (0.46) HTR1AHTR1DHTR1BHTR2AHTR3E
SCHEMBL6551557 0.86 PRKCQ (0.44) HTR1AHTR1DHTR1BHTR2AHTR3E
SCHEMBL4247868 0.83 HTR6 (0.61) HTR1AHTR1DHTR1BHTR2AHTR3E
SCHEMBL4244446 0.83 HTR6 (0.61) HTR1AHTR1DHTR1BHTR2AHTR3E
SCHEMBL4244450 0.83 HTR6 (0.61) HTR1AHTR1DHTR1BHTR2AHTR3E
SCHEMBL6811778 0.83 PRKCQ (0.46) HTR1AHTR1DHTR1BHTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335660-B2 Isochroman compounds for treatment of CNS disorders ELI LILLY AND COMPANY (US) 2008-02-26 US disclosed
CN-1312148-C Isochroman compounds for treatment of CNS disorders LILLY CO ELI (US) 2007-04-25 CN disclosed
EP-1458703-B1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS LILLY CO ELI (US) 2007-02-28 EP disclosed
CN-1620447-A Isochroman compounds for treatment of cns disorders LILLY CO ELI (US) 2005-05-25 CN disclosed
US-20050014750-A1 Isochroman compounds for treatment of cns disorders ELI LILLY AND COMPANY 2005-01-20 US disclosed
EP-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed
EP-1458703-A1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS ELI LILLY AND COMPANY (US) 2004-09-22 EP disclosed
US-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity GILMORE JEREMY (GB) 2004-09-16 US disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1409476-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2003053948-A1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS ELI LILLY AND COMPANY (US) 2003-07-03 WO disclosed
WO-2003006455-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2003-01-23 WO disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO 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 (3 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E HTR1A 1/4885HTR1D 8/4885HTR1B 9/4885
US-20050014750-A1 Isochroman compounds for treatment of cns disorders INA, CNR2, CNR1 HTR1A 192/4885HTR1D 201/4885HTR1B 185/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HTR1A 264/4885HTR1D 124/4885HTR1B 373/4885

“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.