SCHEMBL22790943

SCHEMBL22790943

CN1CCC(c2c[nH]c3nnc(-c4ccccc4O)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ HTR1D P28221 10/20 0.44
▸ HTR1B P28222 9/20 0.44
▸ HTR1A P08908 2/20 0.43
▸ HTR1F P30939 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ APP P05067 2/20 0.42
▸ NOS1 P29475 1/20 0.41
▸ SMARCA2 P51531 1/20 0.41
▸ SMARCA4 P51532 1/20 0.41
▸ PBRM1 Q86U86 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
SCHEMBL24461315 0.88 KDM4E (0.39) KDM4EATMSMARCA2SMARCA4PBRM1
SCHEMBL25467865 0.88 PBRM1 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL24461134 0.87 BRD4 (0.56) HTR1DHTR1BHTR1AHTR1FKDM4E
SCHEMBL29619417 0.86 IKBKB (0.48) APPSMARCA2SMARCA4PBRM1
SCHEMBL22777062 0.86 IKBKB (0.48) APPSMARCA2SMARCA4PBRM1
SCHEMBL24461290 0.83 PBRM1 (0.40) SMARCA2SMARCA4PBRM1
SCHEMBL30552534 0.83 PBRM1 (0.40) SMARCA2SMARCA4PBRM1
SCHEMBL24461244 0.83 BRD4 (0.48) KDM4ESMARCA2SMARCA4PBRM1
SCHEMBL22777626 0.82 SMARCA2 (0.54) MAPTKDM4ESMARCA2SMARCA4PBRM1
SCHEMBL24461294 0.82 IKBKB (0.44) SMARCA2SMARCA4PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-18 — — US disclosed
WO-2020251972-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 — — 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 (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-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 CYP1A2 4083/4885CYP3A4 4079/4885CYP2D6 4549/4885

“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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