SCHEMBL23947736

SCHEMBL23947736

C=CC(=O)N1CCN(C(=O)CN2CCc3ccccc3C2c2ccccc2OC)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 1/20 0.44
HDAC8 Q9BY41 3/20 0.43
ACHE P22303 1/20 0.42
HDAC1 Q13547 2/20 0.41
PRCP P42785 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
RAB9A P51151 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HHAT Q5VTY9 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL25050710 0.89 HCRTR1 (0.46) HCRTR1HCRTR2HDAC8HDAC1PRCP
SCHEMBL23948069 0.87 HDAC8 (0.41) HCRTR1HCRTR2HDAC8HDAC1PRCP
SCHEMBL23926162 0.86 HDAC8 (0.45) HDAC8ACHEHDAC1PRCPHDAC3
SCHEMBL29763681 0.86 HDAC8 (0.45) HDAC8ACHEHDAC1PRCPHDAC3
SCHEMBL23947733 0.85 HDAC8 (0.46) HDAC8HDAC1PRCPHDAC3HDAC2
SCHEMBL23948063 0.84 HDAC8 (0.45) HDAC8ACHEHDAC1PRCPHDAC3
SCHEMBL23948064 0.84 HDAC8 (0.45) HDAC8ACHEHDAC1PRCPHDAC3
SCHEMBL23947732 0.84 HDAC8 (0.61) HDAC8HDAC1PRCPCYP2D6HDAC3
SCHEMBL23948065 0.82 HDAC8 (0.43) HDAC8HDAC1PRCPHDAC3HDAC2
SCHEMBL23948062 0.82 RBP4 (0.43) HDAC8HDAC1PRCPHDAC3HDAC2

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
US-20230047626-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY 2023-02-16 US disclosed
US-20220142973-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY 2022-05-12 US disclosed
WO-2021212010-A2 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2021-10-21 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 (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-20230047626-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS TP53, EIF2AK2, POLI HCRTR1 4695/4885HCRTR2 4854/4885HDAC8 988/4885
US-20220142973-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS TP53, EIF2AK2, POLI HCRTR1 4695/4885HCRTR2 4854/4885HDAC8 988/4885

“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.