Sugi Predict

Sugi Predict / Compounds / SCHEMBL21030558

SCHEMBL21030558

SCHEMBL21030558

CC(C)c1ccc2c(c1)CCN(C(C)(C)C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ACACB O00763 5/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ ESR2 Q92731 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ OGA O60502 1/20 0.33

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
SCHEMBL20883923 0.86 ACACB (0.37) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL12628112 0.78 MAOA (0.55) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31370719 0.78 AKR1C3 (0.39) NPC1RAB9AESR2ALDH1A1HDAC8
SCHEMBL17813373 0.78 AKR1C3 (0.39) NPC1RAB9AESR2ALDH1A1HDAC8
SCHEMBL24866962 0.77 HTR2A (0.42) ACACBHTR2AHTR2CESR2HDAC8
SCHEMBL20883854 0.77 ACACB (0.39) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL2741634 0.77 OGA (0.43) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL13112853 0.77 HTR5A (0.36) MAPTKMT2ASMN1; SMN2ESR2HPGD
SCHEMBL13405609 0.77 NR1H2 (0.47) MAPTNPC1RAB9ASMN1; SMN2HTR2A
SCHEMBL19700137 0.77 KCNH2 (0.50) KMT2AHTR2AESR2HDAC8HDAC6

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-20230029378-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2023-01-26 — — US disclosed
US-20220002266-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-01-06 — — US disclosed
US-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-05-30 — — 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-20220002266-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF ROCK1, ROCK2, RHOA NPSR1 4286/4885MAPT 173/4885KMT2A 3632/4885
US-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 NPSR1 172/4885MAPT 4282/4885KMT2A 2596/4885
US-20230029378-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY CBL, XIAP, BTK NPSR1 4635/4885MAPT 2223/4885KMT2A 1161/4885

“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.