SCHEMBL21664630

SCHEMBL21664630

CC(C)NC(=O)CCC1CCC(C(C)(C)NC(=O)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDLR P01130 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KLK7 P49862 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 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
SCHEMBL21341571 0.82 SMN1; SMN2 (0.55) LDLRSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL20325059 0.81 CTSL (0.46) LDLRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12315436 0.77 MAPK1 (0.53) MAPK1ALDH1A1SMN1; SMN2CYP2C9POLB
SCHEMBL20324937 0.77 HPGD (0.34) MAPK1MEN1KMT2AMAPTRAB9A
SCHEMBL20857323 0.70 HPGD (0.56) MAPK1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7171542 0.69 ALDH1A1 (0.56) MAPK1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4341580 0.69 HPGD (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10144081 0.69 MAPT (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL27369467 0.67 MAPK1 (0.52) MAPK1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL12267772 0.67 POLB (0.44) MAPK1ALDH1A1SMN1; SMN2MEN1KMT2A

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-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 — — US disclosed
US-20230067037-A1 CONJUGATED CHEMICAL INDUCERS OF DEGRADATION AND METHODS OF USE GENENTECH, INC. (US) 2023-03-02 — — US disclosed
US-20220267305-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-08-25 — — US disclosed
US-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2020-02-06 — — US disclosed
US-20200038378-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE GENENTECH, INC. 2020-02-06 — — 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 (5 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-20230067037-A1 CONJUGATED CHEMICAL INDUCERS OF DEGRADATION AND METHODS OF USE ADRM1, SSB, FCER2 LDLR 1928/4885MAPK1 4049/4885ALDH1A1 1290/4885
US-20200038378-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ADRM1, BRAP, VHL LDLR 468/4885MAPK1 4040/4885ALDH1A1 3773/4885
US-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE PTK2, CTTN, CRBN LDLR 629/4885MAPK1 1841/4885ALDH1A1 3692/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN LDLR 870/4885MAPK1 4023/4885ALDH1A1 2567/4885
US-20220267305-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ADRM1, MDM2, ESR2 LDLR 94/4885MAPK1 4310/4885ALDH1A1 2935/4885

“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.

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