SCHEMBL22357749

SCHEMBL22357749

CC(C)c1ccc2cnn(C(C)(C)CO)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.36
▸ HTR2C P28335 5/20 0.36
▸ HTR2B P41595 4/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ ADRA2A P08913 2/20 0.36
▸ ADRA2B P18089 2/20 0.36
▸ ADRA2C P18825 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR4 Q13639 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KMO O15229 3/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL26997284 0.87 HTR2A (0.34) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL20021709 0.83 GAA (0.36) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL22357747 0.77 CYP26A1 (0.38) MEN1NPC1RAB9AKMT2AKMO
SCHEMBL10080931 0.75 NOTUM (0.42) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL13533133 0.75 HTR2A (0.40) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL22357873 0.74 KMO (0.49) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL22923224 0.72 ALDH1A1 (0.36) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL22357875 0.71 KMO (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL12125239 0.71 HTR2A (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL29281256 0.71 HDAC8 (0.38) HTR2AHTR2CMEN1NPC1RAB9A

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 — — 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 HTR2A 1198/4885HTR2C 1250/4885HTR2B 1017/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HTR2A 1198/4885HTR2C 1250/4885HTR2B 1017/4885

“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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