SCHEMBL316868

SCHEMBL316868

COc1ccccc1C1CCCCC1CC#N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.48
HTR2A P28223 1/20 0.48
HTR2B P41595 1/20 0.48
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FABP7 O15540 1/20 0.38
FABP3 P05413 1/20 0.38
FABP5 Q01469 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 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
SCHEMBL10108958 1.00 HTR2C (0.48) HTR2CHTR2AHTR2BALDH1A1KDM4E
SCHEMBL10108951 0.81 HTR2C (0.51) HTR2CHTR2AHTR2BDRD2MEN1
SCHEMBL317304 0.81 HTR2C (0.51) HTR2CHTR2AHTR2BDRD2MEN1
SCHEMBL10109118 0.80 MTNR1A (0.42) HTR2CALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL318191 0.80 MTNR1A (0.42) HTR2CALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL8782808 0.79 HTR2C (0.47) HTR2CHTR2AHTR2BALDH1A1KDM4E
SCHEMBL8782814 0.79 HTR2C (0.47) HTR2CHTR2AHTR2BALDH1A1KDM4E
SCHEMBL8782802 0.79 HTR2C (0.47) HTR2CHTR2AHTR2BALDH1A1KDM4E
SCHEMBL10123118 0.78 HTR2C (0.56) HTR2CHTR2AHTR2BDRD2
SCHEMBL10108965 0.77 HTR2C (0.48) HTR2CHTR2AHTR2BDRD2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 US disclosed
EP-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG HTR2C 356/4885HTR2A 404/4885HTR2B 372/4885

“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.