SCHEMBL22451497

SCHEMBL22451497

CO[C@@H]1C[C@@H](c2cccc(F)c2)NC1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PKM P14618 1/20 0.35
CA1 P00915 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR7 P34969 2/20 0.34
PIK3CD O00329 1/20 0.34
GRIA4 P48058 1/20 0.34
OPRK1 P41145 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL20835744 1.00 HTR2A (0.35) HTR2AHTR2CHTR2BPKMCA1
SCHEMBL22451400 1.00 HTR2A (0.35) HTR2AHTR2CHTR2BPKMCA1
SCHEMBL20835371 1.00 HTR2A (0.35) HTR2AHTR2CHTR2BPKMCA1
SCHEMBL19803650 1.00 HTR2A (0.35) HTR2AHTR2CHTR2BPKMCA1
SCHEMBL22451606 0.83 PIK3CD (0.40) CA1KMT2APIK3CDOPRK1ALDH1A1
SCHEMBL20835537 0.83 PIK3CD (0.40) CA1KMT2APIK3CDOPRK1ALDH1A1
SCHEMBL20835534 0.83 PIK3CD (0.40) CA1KMT2APIK3CDOPRK1ALDH1A1
SCHEMBL22451448 0.81 PKM (0.41) PKMKMT2AMAOAMAOBKDM1A
SCHEMBL19803548 0.81 PKM (0.41) PKMKMT2AMAOAMAOBKDM1A
Hydrochloric Acid SCHEMBL20835569 0.80 PKM (0.40) HTR2AHTR2CHTR2BPKMKMT2A

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-10995084-B2 Pyrrolidine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-04 US disclosed
US-20200299273-A1 PYRROLIDINE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2020-09-24 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 (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-20200299273-A1 PYRROLIDINE DERIVATIVE CALCRL, NPY1R, GRPR HTR2A 717/4885HTR2C 702/4885HTR2B 435/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR HTR2A 717/4885HTR2C 702/4885HTR2B 435/4885

“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.