SCHEMBL20111166

SCHEMBL20111166

CN1CCCC1C(=O)NCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.61
HDAC2 Q92769 3/20 0.61
HDAC3 O15379 1/20 0.61
HTR2C P28335 1/20 0.60
HTR2B P41595 1/20 0.60
HDAC6 Q9UBN7 1/20 0.57
PTGER4 P35408 2/20 0.57
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
CYP2C19 P33261 1/20 0.55
CHRNB2 P17787 1/20 0.55
CHRNA5 P30532 1/20 0.55
CHRNA7 P36544 1/20 0.55
CHRNA4 P43681 1/20 0.55
APP P05067 1/20 0.54
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL30002029 0.90 MEN1 (0.54) HDAC1HDAC2HDAC3HDAC6PTGER4
SCHEMBL24820758 0.88 CYP3A4 (0.64) CYP3A4CYP2C9PKMCYP2C19ALDH1A1
SCHEMBL7302729 0.88 CYP3A4 (0.64) CYP3A4CYP2C9PKMCYP2C19ALDH1A1
SCHEMBL10144672 0.88 CYP3A4 (0.64) CYP3A4CYP2C9PKMCYP2C19ALDH1A1
SCHEMBL30001630 0.88 MAOB (0.60) HDAC1HDAC2HDAC3ALDH1A1
SCHEMBL30002109 0.87 SLC6A5 (0.58) HDAC1HDAC2HDAC3
SCHEMBL21696782 0.84 FKBP1A (0.61) PTGER4CYP3A4CYP2C9PKMCYP2C19
SCHEMBL22163627 0.83 HDAC1 (0.62) HDAC1HDAC2HDAC3HTR2CHTR2B
SCHEMBL14287797 0.81 HRH3 (0.58) PTGER4ALDH1A1SMN1; SMN2
SCHEMBL22163628 0.80 HTR2C (0.57) HTR2CHTR2BPKMALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022255801-A1 BENZYLOXY-BENZYLAMINYL AMINO ACID DERIVATIVE FOR ADJUSTING TSLP/TSLPR SIGNAL TRANSMISSION (주)앰틱스바이오 2022-12-08 WO disclosed
US-20200199065-A1 FUNCTIONAL DERIVATIVE COMPOUNDS OF ALANINE AND PROLINE AMINO ACIDS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AMTIXBIO CO., LTD. (KR) 2020-06-25 US disclosed
WO-2018080269-A1 FUNCTIONAL DERIVATIVE COMPOUNDS OF ALANINE AND PROLINE AMINO ACIDS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME (주)앰틱스바이오 2018-05-03 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-20200199065-A1 FUNCTIONAL DERIVATIVE COMPOUNDS OF ALANINE AND PROLINE AMINO ACIDS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME PEPD, BCAT1, ANPEP HDAC1 2889/4885HDAC2 1565/4885HDAC3 3057/4885

“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.