SCHEMBL5090686

SCHEMBL5090686

FC1=CCOc2cc(C3=CCNCC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.48
HTR2C P28335 8/20 0.45
SIGMAR1 Q99720 2/20 0.45
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KHK P50053 1/20 0.37

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
SCHEMBL6043424 0.75 QDPR (0.57) QDPRHTR2CSIGMAR1
SCHEMBL7804971 0.75 QDPR (0.57) QDPRHTR2CSIGMAR1PRMT5WDR77
SCHEMBL27007924 0.74 HTR2C (0.50) QDPRHTR2CSIGMAR1PDE3BPDE3A
SCHEMBL27007732 0.72 HTR2C (0.48) QDPRHTR2CSIGMAR1KHK
SCHEMBL3383939 0.71 HTR2C (0.62) QDPRHTR2CSIGMAR1KHK
SCHEMBL6584726 0.71 QDPR (0.46) QDPRHTR2CSIGMAR1KHK
SCHEMBL3961889 0.70 SIGMAR1 (0.65) QDPRHTR2CSIGMAR1KHK
SCHEMBL532892 0.70 HTR2C (0.66) QDPRHTR2CSIGMAR1KHK
Hydrochloric Acid SCHEMBL6371753 0.70 HTR2C (0.64) QDPRHTR2CSIGMAR1KHK
Hydrochloric Acid SCHEMBL730625 0.69 HTR2C (0.67) QDPRHTR2CSIGMAR1KHK

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 6 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
EP-1458703-B1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS LILLY CO ELI (US) 2007-02-28 EP 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
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

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 QDPR 96/4885HTR2C 14/4885SIGMAR1 55/4885
US-20050014750-A1 Isochroman compounds for treatment of cns disorders INA, CNR2, CNR1 QDPR 488/4885HTR2C 98/4885SIGMAR1 187/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 QDPR 550/4885HTR2C 1211/4885SIGMAR1 316/4885

“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.