SCHEMBL29990871

SCHEMBL29990871

CC1NCCOc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
HTR2B P41595 2/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KEAP1 Q14145 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
LMNA P02545 2/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
SSTR4 P31391 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
GHSR Q92847 2/20 0.34
DRD1 P21728 1/20 0.34

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
SCHEMBL13091452 1.00 ITGB2 (0.41) ITGB2ICAM1ITGALHTR2BSLC6A2
SCHEMBL18027909 0.78 ITGB2 (0.41) ITGB2ICAM1ITGALHTR2BSLC6A2
SCHEMBL18706894 0.77 GHSR (0.39) ITGB2ICAM1ITGALKEAP1GHSR
SCHEMBL11667059 0.76 PRCP (0.51) ITGB2ICAM1ITGALHTR2BSLC6A2
SCHEMBL17957962 0.76 ADRA2A (0.44) HTR2BDRD2DRD3LMNAHTT
SCHEMBL17957591 0.76 ADRA2A (0.44) HTR2BDRD2DRD3LMNAHTT
SCHEMBL30192841 0.74 ITGB2 (0.38) ITGB2ICAM1ITGALKEAP1DRD2
SCHEMBL13091456 0.74 SMN1; SMN2 (0.43) KEAP1DRD2DRD3SMN1; SMN2HTT
SCHEMBL31387576 0.73 CXCR4 (0.34) ITGB2ICAM1ITGALHTR2BSLC6A2
Hydrochloric Acid SCHEMBL11640860 0.73 MEN1 (0.43) ITGB2ICAM1ITGALHTR2BKEAP1

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 ITGB2 2187/4885ICAM1 4748/4885ITGAL 1246/4885
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ITGB2 2187/4885ICAM1 4748/4885ITGAL 1246/4885

“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.