SCHEMBL20021711

SCHEMBL20021711

CC(C)c1ccc2cnn(C(C)F)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.40
▸ HTR2A P28223 5/20 0.37
▸ HTR2C P28335 5/20 0.37
▸ HTR7 P34969 2/20 0.35
▸ HTR2B P41595 3/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PARP15 Q460N3 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR4 Q13639 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SCN4A P35499 1/20 0.32

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
SCHEMBL20025157 0.90 KMO (0.40) KMOHTR2AHTR2CHTR7HTR2B
SCHEMBL20021712 0.87 NR3C1 (0.38) HTR2AHTR2CNPC1RAB9APARP15
SCHEMBL13677504 0.86 KMO (0.41) KMOHTR2AHTR2CHTR7HTR2B
SCHEMBL26997333 0.83 KMO (0.46) KMOHTR2AHTR2CHTR7HTR2B
SCHEMBL22358042 0.81 KMO (0.47) KMOHTR2AHTR2CHTR7HTR2B
SCHEMBL22357873 0.80 KMO (0.49) KMOHTR2AHTR2CHTR7HTR2B
SCHEMBL22357746 0.80 KMO (0.37) KMOHTR2AHTR2CHTR7HTR2B
SCHEMBL22152270 0.79 HTR2A (0.36) KMOHTR2AHTR2CHTR7HTR2B
SCHEMBL22156375 0.78 HTR2A (0.37) KMOHTR2AHTR2CHTR7HTR2B
SCHEMBL10080931 0.77 NOTUM (0.42) KMOHTR2AHTR2CHTR7HTR2B

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 4 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-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 — — US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 — — US disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 — — 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 (4 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-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL KMO 3577/4885HTR2A 4118/4885HTR2C 4605/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 KMO 1174/4885HTR2A 1198/4885HTR2C 1250/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL KMO 3577/4885HTR2A 4118/4885HTR2C 4605/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL KMO 3577/4885HTR2A 4118/4885HTR2C 4605/4885

“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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