SCHEMBL21025847

SCHEMBL21025847

CNC[C@H](C)Oc1cccc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 10/20 0.44
▸ MTNR1B P49286 10/20 0.44
▸ FFAR1 O14842 1/20 0.41
▸ SOD1 P00441 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ CACNA2D1 P54289 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ACHE P22303 1/20 0.36

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
SCHEMBL20325681 1.00 MTNR1A (0.44) MTNR1AMTNR1BFFAR1SOD1KDM4E
SCHEMBL21026219 0.86 MTNR1A (0.43) MTNR1AMTNR1BFFAR1SOD1LMNA
SCHEMBL18591787 0.86 MTNR1A (0.43) MTNR1AMTNR1BFFAR1SOD1LMNA
SCHEMBL18591764 0.86 MTNR1A (0.43) MTNR1AMTNR1BFFAR1SOD1LMNA
SCHEMBL21341711 0.84 MTNR1A (0.42) MTNR1AMTNR1BFFAR1SOD1KDM4E
SCHEMBL12293429 0.82 GPBAR1 (0.44) MTNR1AMTNR1BFFAR1SOD1LMNA
SCHEMBL21574459 0.79 MTNR1A (0.48) MTNR1AMTNR1BKDM4ENSD2ALDH1A1
SCHEMBL18551176 0.79 MTNR1A (0.48) MTNR1AMTNR1BKDM4ENSD2ALDH1A1
SCHEMBL18551166 0.79 MTNR1A (0.48) MTNR1AMTNR1BKDM4ENSD2ALDH1A1
SCHEMBL24856091 0.78 SOD1 (0.40) MTNR1AMTNR1BFFAR1SOD1LMNA

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-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 — — US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 — — 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 (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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 MTNR1A 1897/4885MTNR1B 1818/4885FFAR1 3121/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 MTNR1A 1897/4885MTNR1B 1818/4885FFAR1 3121/4885

“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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