SCHEMBL5093450

SCHEMBL5093450

c1cc2c3c(ccc(C4CCNCC4)c3c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.46
ADRB2 P07550 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTR6 P50406 1/20 0.46
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6041812 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMEN1GAA
SCHEMBL24120085 0.75 HTR2C (0.51) HTR2CADRB2HTR6SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL23780213 0.74 HTR2C (0.53) HTR2CADRB2HTR6SLC18A3SIGMAR1
SCHEMBL30735827 0.73 HTR6 (0.56) HTR2CADRB2HTR6SLC18A3SIGMAR1
SCHEMBL2710242 0.73 HTR2C (0.56) HTR2CADRB2HTR6SLC18A3SIGMAR1
SCHEMBL19284708 0.73 HTR6 (0.56) HTR2CADRB2HTR6SLC18A3SIGMAR1
SCHEMBL30368566 0.73 HTR2C (0.56) HTR2CADRB2HTR6SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL19284610 0.71 HTR2C (0.56) HTR2CADRB2HTR6SLC18A3SIGMAR1
Bromide SCHEMBL9325288 0.71 HTR2C (0.55) HTR2CADRB2HTR6SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL5374942 0.71 HTR2C (0.58) HTR2CADRB2ALDH1A1KDM4EHPGD

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 7 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-1458703-A1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS ELI LILLY AND COMPANY (US) 2004-09-22 EP disclosed
WO-2003053948-A1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS ELI LILLY AND COMPANY (US) 2003-07-03 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 (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-20050014750-A1 Isochroman compounds for treatment of cns disorders INA, CNR2, CNR1 HTR2C 98/4885ADRB2 1157/4885ALDH1A1 2946/4885

“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.