SCHEMBL30574697

SCHEMBL30574697

CN1CCN(c2cccc(-c3c[nH]nn3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.49
AGXT P21549 1/20 0.48
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46
MELK Q14680 1/20 0.43
HTR1A P08908 3/20 0.43
HTR7 P34969 3/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RPS6KA3 P51812 1/20 0.42
CHEK1 O14757 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL30574737 0.86 DRD2 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL30574708 0.82 CHEK1 (0.52) ADRA2CMELKKDM4ENPC1ALDH1A1
SCHEMBL30574713 0.81 TSHR (0.46) ADRA2CHTR1AHTR7ALDH1A1POLB
SCHEMBL1646236 0.75 GP6 (0.37) ALDH1A1RAB9ACHEK1
SCHEMBL1493333 0.74 ADRA2C (0.55) ADRA2CAGXTMELKPRKD1
SCHEMBL3620897 0.74 ADRA2C (0.55) ADRA2CAGXTPRKCBPRKCAPRKCH
SCHEMBL30108214 0.74 HTR1A (0.64) ADRA2CAGXTHTR1AHTR7ALDH1A1
SCHEMBL30574733 0.72 KAT2B (0.37) HTR3A
SCHEMBL30574734 0.71 DRD2 (0.46) ADRA2CHTR7
SCHEMBL23048610 0.71 HTR3A (0.57) ADRA2CHTR1AHTR7KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-17 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 (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-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC6, HDAC1, HDAC3 ADRA2C 2446/4885AGXT 3787/4885PRKCB 992/4885

“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.