SCHEMBL8025852

SCHEMBL8025852

CC(C)N1Cc2cccc3cccc(c23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
TYMS P04818 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2D6 P10635 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 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
SCHEMBL8026888 0.81 CYP1A2 (0.36) MAPTCYP1A2CYP1A1CYP1B1
SCHEMBL1101990 0.80 MEN1 (0.55) TSHRMEN1KMT2AHRH3KCNH2
SCHEMBL22221914 0.80 MEN1 (0.36) MEN1KMT2AHRH3KCNH2ALDH1A1
SCHEMBL8036747 0.79 KCNH2 (0.37) KCNH2TMEM97SIGMAR1
SCHEMBL23716163 0.77 HRH3 (0.43) CYP3A4TSHRMEN1KMT2AHRH3
SCHEMBL8168627 0.76 MAOA (0.46) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL8027138 0.75 KDM4E (0.33) MEN1KMT2AKCNH2ALDH1A1HPGD
SCHEMBL8037860 0.74 HTR1A (0.38) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL1615567 0.74 KMT2A (0.46) CYP3A4MEN1KMT2AHRH3KCNH2
SCHEMBL26192019 0.74 MEN1 (0.50) TSHRMEN1KMT2AHRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-31 US disclosed
US-7482468-B2 Imidazole and benzimidazole derivatives useful as histamine H3 antagonists SCHERING CORPORATION (US) 2009-01-27 US disclosed
US-7482468-B2 Imidazole and benzimidazole derivatives useful as histamine H3 antagonists SCHERING CORPORATION (US) 2009-01-27 US disclosed
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-12-25 US disclosed
US-20080279821-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-13 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 (3 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-20080279821-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 CYP3A4 28/4885TSHR 4065/4885MEN1 4649/4885
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS BCHE, ACHE, CHAT CYP3A4 157/4885TSHR 2545/4885MEN1 3307/4885
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS PREP, DNPEP, CTSC CYP3A4 74/4885TSHR 3955/4885MEN1 4697/4885

“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.