SCHEMBL5097782

SCHEMBL5097782

C[C@@H]1CN(c2ccc3c4c(cccc24)C=C3)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
PRKCQ Q04759 3/20 0.38
PRKCD Q05655 1/20 0.38
KHK P50053 2/20 0.36
HTR6 P50406 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35
NCF1 P14598 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL6808205 0.82 HTR2C (0.43) HTR2CALDH1A1LMNAPRKCQPRKCD
SCHEMBL5090857 0.81 HTR2C (0.43) HTR2CALDH1A1LMNAPRKCQPRKCD
SCHEMBL5090658 0.78 HTR2C (0.44) HTR2CALDH1A1LMNAPRKCQPRKCD
SCHEMBL5088632 0.77 HTR2C (0.43) HTR2CALDH1A1LMNAPRKCQPRKCD
SCHEMBL4244446 0.77 HTR6 (0.61) HTR2CALDH1A1LMNAPRKCQPRKCD
SCHEMBL4244450 0.77 HTR6 (0.61) HTR2CALDH1A1LMNAPRKCQPRKCD
SCHEMBL4247868 0.77 HTR6 (0.61) HTR2CALDH1A1LMNAPRKCQPRKCD
SCHEMBL4247507 0.75 HTR2C (0.45) HTR2CALDH1A1LMNAPRKCQPRKCD
SCHEMBL4247502 0.75 HTR2C (0.45) HTR2CALDH1A1LMNAPRKCQPRKCD
SCHEMBL6808332 0.74 ALDH1A1 (0.52) HTR2CALDH1A1LMNAPRKCQPRKCD

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 5 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-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 98/4885ALDH1A1 2946/4885LMNA 2020/4885

“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.