SCHEMBL21838543

SCHEMBL21838543

CC(C)(C)N(C(=O)O)[C@H]1CC[C@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CHRM4 P08173 1/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36

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
SCHEMBL21838600 1.00 HTR2C (0.41) HTR2CHSD11B1HTR2AHTR2BDRD2
SCHEMBL21838645 0.87 SCN9A (0.45) HTR2C
SCHEMBL21838629 0.87 SCN9A (0.45) HTR2C
SCHEMBL21838578 0.83 SCN9A (0.43) HTR2CDRD2
SCHEMBL31495941 0.81 HTR2C (0.49) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL21838641 0.76 KMO (0.37) HSD11B1AKR1C3AKR1C1
SCHEMBL21838602 0.76 KMO (0.37) HSD11B1AKR1C3AKR1C1
SCHEMBL21294655 0.75 HTR2C (0.48) HTR2CHTR2AHTR2BDRD2GRIN2B
SCHEMBL31154443 0.75 AKR1C3 (0.62) HTR2CHTR2AHTR2BDRD2GRIN2B
SCHEMBL31154407 0.75 AKR1C3 (0.62) HTR2CHTR2AHTR2BDRD2GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 — — 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 (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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 HTR2C 1243/4885HSD11B1 316/4885HTR2A 2222/4885

“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.

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