SCHEMBL20031039

SCHEMBL20031039

CCCN[C@H](C)[C@]1(C)OCc2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
SLC6A4 P31645 8/20 0.33
NAMPT P43490 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL17193999 0.69 PGR (0.44) SLC6A4HTR2AHTR2C
SCHEMBL18474170 0.68 KMT2A (0.34)
SCHEMBL18469608 0.64 SLC6A4 (0.35) SLC6A4HTR2AHTR2C
SCHEMBL26077198 0.64 CA1 (0.38) SLC6A4HTR2AHTR2C
SCHEMBL26077196 0.63 CA1 (0.37) SLC6A4HTR2AHTR2C
SCHEMBL12964403 0.61 AVPR1A (0.43)
SCHEMBL18474236 0.61 PGR (0.45)
SCHEMBL6654384 0.61 SLC6A4 (0.58) SLC6A4HTR2AHTR2C
SCHEMBL30574141 0.59 AVPR1A (0.41) SLC6A4
SCHEMBL11827622 0.59 AVPR1A (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336732-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2019-07-02 US disclosed
US-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-04-05 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 (2 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-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 HTR1D 52/4885HTR1B 34/4885SLC6A4 410/4885
US-10336732-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders CNR1, HCRTR1, CNR2 HTR1D 52/4885HTR1B 34/4885SLC6A4 410/4885

“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.