SCHEMBL22299378

SCHEMBL22299378

CC(C)(C)c1cccc(C(C)(C)CN)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.61
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
ACHE P22303 4/20 0.42
PRKCQ Q04759 1/20 0.41
KIF11 P52732 1/20 0.41
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTR1D P28221 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL2593641 0.93 TAAR1 (0.70) TAAR1HDAC4HDAC2HDAC8PRKCQ
SCHEMBL8227760 0.83 TAAR1 (0.57) TAAR1PRKCQKIF11
Hydrochloric Acid SCHEMBL3911403 0.82 TAAR1 (0.55) TAAR1KIF11
SCHEMBL129151 0.81 HDAC8 (0.56) HDAC4HDAC2HDAC8ACHEKIF11
SCHEMBL12061429 0.80 KIF11 (0.46) TAAR1HDAC4HDAC2HDAC8ACHE
SCHEMBL14991287 0.79 TAAR1 (0.57) TAAR1PRKCQKIF11ALDH1A1
SCHEMBL3978037 0.79 TAAR1 (0.57) TAAR1ACHEPRKCQKIF11ALDH1A1
SCHEMBL21277730 0.79 TAAR1 (0.57) TAAR1PRKCQKIF11
SCHEMBL2227553 0.79 TAAR1 (0.57) TAAR1PRKCQKIF11ALDH1A1MEN1
SCHEMBL2260664 0.79 TAAR1 (0.57) TAAR1ACHEPRKCQKIF11

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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 US disclosed
WO-2020160010-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC (US) 2020-08-06 WO 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 (1 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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT TAAR1 3524/4885HDAC4 1608/4885HDAC2 1322/4885

“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.