SCHEMBL29990806

SCHEMBL29990806

[2H]C1(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.57
HTR2A P28223 2/20 0.49
HTR2B P41595 2/20 0.49
DRD2 P14416 1/20 0.48
HTR1A P08908 1/20 0.46
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL1065758 0.80 HTR2C (0.77) HTR2CHTR2AHTR2BDRD2HTR1A
SCHEMBL16457233 0.77 HTR2C (0.72) HTR2CHTR2AHTR2BDRD2HTR1A
SCHEMBL2532290 0.77 HTR2C (0.72) HTR2CHTR2AHTR2BDRD2HTR1A
SCHEMBL25121942 0.76 HTR2C (0.56) HTR2CHTR2AHTR2BDRD2HTR1A
SCHEMBL5668848 0.76 HTR2C (0.70) HTR2CHTR2AHTR2BDRD2
Cyanide SCHEMBL27792102 0.76 HTR2C (0.70) HTR2CHTR2AHTR2BDRD2HTR1A
SCHEMBL31087548 0.76 HTR2C (0.70) HTR2CHTR2AHTR2BDRD2
SCHEMBL29991200 0.75 HTR2C (0.52) HTR2CKDM1ARCOR1TSHR
SCHEMBL27343752 0.74 HTR2C (0.54) HTR2CHTR2AHTR2BDRD2HTR1A
SCHEMBL4068122 0.74 HTR2C (0.68) HTR2CHTR2AHTR2BDRD2HTR1A

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-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2024-02-06 US disclosed
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2022-11-17 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-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 HTR2C 1817/4885HTR2A 2475/4885HTR2B 1286/4885
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 HTR2C 1817/4885HTR2A 2475/4885HTR2B 1286/4885

“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.