SCHEMBL21292855

SCHEMBL21292855

C[C@@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.61
HTR2C P28335 1/20 0.61
NR3C1 P04150 2/20 0.60
TSHR P16473 1/20 0.59
NOTUM Q6P988 2/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
MPO P05164 10/20 0.53
GPR84 Q9NQS5 1/20 0.52
SLC6A4 P31645 2/20 0.51
SPR P35270 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL20242715 1.00 HTR2A (0.61) HTR2AHTR2CNR3C1TSHRNOTUM
SCHEMBL20425196 1.00 HTR2A (0.61) HTR2AHTR2CNR3C1TSHRNOTUM
SCHEMBL21292889 0.85 HTR2A (0.61) HTR2ANR3C1TSHRMTNR1AMTNR1B
SCHEMBL21292891 0.85 HTR2A (0.61) HTR2ANR3C1TSHRMTNR1AMTNR1B
SCHEMBL27220732 0.84 GPR84 (0.50) HTR2AHTR2CNR3C1MTNR1AMTNR1B
SCHEMBL27220736 0.84 GPR84 (0.50) HTR2AHTR2CNR3C1MTNR1AMTNR1B
SCHEMBL27220733 0.84 TACR1 (0.46) NR3C1KDM4E
SCHEMBL27220730 0.84 TACR1 (0.46) NR3C1KDM4E
SCHEMBL25001307 0.83 HTR2A (0.54) HTR2AHTR2CNR3C1TSHRNOTUM
SCHEMBL21483315 0.83 HTR2A (0.54) HTR2AHTR2CNR3C1TSHRNOTUM

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-20230039846-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2023-02-09 US disclosed
US-20190263802-A1 COMPOUNDS AND METHOD OF USE MOLECULAR SKIN THERAPEUTICS, INC. 2019-08-29 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-20230039846-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 HTR2A 3134/4885HTR2C 2543/4885NR3C1 2102/4885
US-20190263802-A1 COMPOUNDS AND METHOD OF USE AIFM2, GPX4, GPX1 HTR2A 3059/4885HTR2C 2709/4885NR3C1 2345/4885

“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.