SCHEMBL21628874

SCHEMBL21628874

CN(C)C(=O)c1ccc(Oc2ccc(C3CCCC3)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HRH3 Q9Y5N1 10/20 0.46
HAO1 Q9UJM8 1/20 0.45
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL21628721 0.99 HAO1 (0.47) POLBSMN1; SMN2ALDH1A1HPGDHRH3
SCHEMBL21628544 0.99 HAO1 (0.47) POLBSMN1; SMN2ALDH1A1HPGDHRH3
SCHEMBL21628652 0.98 HRH3 (0.48) POLBSMN1; SMN2ALDH1A1HPGDHRH3
SCHEMBL21628747 0.95 SMN1; SMN2 (0.49) POLBSMN1; SMN2ALDH1A1HPGDHRH3
SCHEMBL21656680 0.85 HAO1 (0.49) POLBSMN1; SMN2HRH3HAO1OPRM1
SCHEMBL21628904 0.84 ALDH1A1 (0.67) POLBSMN1; SMN2ALDH1A1HPGDHAO1
SCHEMBL21656824 0.84 LMNA (0.54) POLBSMN1; SMN2ALDH1A1HRH3HAO1
SCHEMBL19362956 0.84 HAO1 (0.51) POLBSMN1; SMN2ALDH1A1HRH3HAO1
SCHEMBL21628865 0.84 OPRM1 (0.55) HRH3HAO1OPRM1OPRK1KCNH2
SCHEMBL21628651 0.83 ALDH1A1 (0.65) POLBSMN1; SMN2ALDH1A1HPGDHAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (7 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK POLB 3699/4885SMN1; SMN2 796/4885ALDH1A1 717/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK POLB 3699/4885SMN1; SMN2 796/4885ALDH1A1 717/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK POLB 2979/4885SMN1; SMN2 1107/4885ALDH1A1 900/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK POLB 3699/4885SMN1; SMN2 796/4885ALDH1A1 717/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR POLB 814/4885SMN1; SMN2 919/4885ALDH1A1 929/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK POLB 3699/4885SMN1; SMN2 796/4885ALDH1A1 717/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK POLB 3699/4885SMN1; SMN2 796/4885ALDH1A1 717/4885

“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.