SCHEMBL25066065

SCHEMBL25066065

CC(C)(C)c1cccc(C2CC2N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.55
MAOB P27338 10/20 0.50
MAOA P21397 9/20 0.50
CYP2C19 P33261 4/20 0.50
CYP2B6 P20813 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
LMNA P02545 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
HTR2C P28335 2/20 0.50
CYP2A6 P11509 2/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL4808922 0.81 KDM1A (0.69) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL8233501 0.81 KDM1A (0.69) KDM1AMAOBMAOACYP2C19CYP2B6
Hydrochloric Acid SCHEMBL4496681 0.80 KDM1A (0.67) KDM1AMAOBMAOACYP2C19CYP2B6
Hydrochloric Acid SCHEMBL4496679 0.80 KDM1A (0.67) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL25069257 0.76 KDM1A (0.54) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL20832944 0.75 KDM1A (0.63) KDM1AMAOBMAOARCOR1KDM1B
SCHEMBL20832959 0.75 KDM1A (0.63) KDM1AMAOBMAOARCOR1KDM1B
SCHEMBL7092556 0.75 HTR2C (0.61) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL7002711 0.75 HTR2C (0.61) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL7002709 0.75 HTR2C (0.61) KDM1AMAOBMAOACYP2C19CYP2B6

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-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. (US) 2023-02-23 US disclosed
US-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT KDM1A 3310/4885MAOB 858/4885MAOA 1187/4885
US-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME DCX, NES, MCL1 KDM1A 2576/4885MAOB 4262/4885MAOA 4546/4885

“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.