SCHEMBL16180243

SCHEMBL16180243

Cc1ccc(C(NC(C)C)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.47
▸ LMNA P02545 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ STAT3 P40763 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ GRIA4 P48058 1/20 0.34
▸ VDR P11473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32

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
SCHEMBL13164341 0.91 LMNA (0.53) AKT1LMNAACHEALDH1A1VDR
SCHEMBL8278972 0.80 SMN1; SMN2 (0.41) LMNACHRNA7ACHETDP1ALOX5
SCHEMBL25584028 0.80 SMN1; SMN2 (0.41) LMNACHRNA7ACHETDP1ALOX5
SCHEMBL18925491 0.80 CHRNA7 (0.41) LMNACHRNA7ACHETDP1ALDH1A1
SCHEMBL9843925 0.77 MTOR (0.48) AKT1LMNATDP1
SCHEMBL16179898 0.75 TACR1 (0.36) AKT1TDP1ALDH1A1
SCHEMBL13164322 0.75 CA1 (0.48) AKT1ACHETDP1ALDH1A1MAPT
SCHEMBL14438298 0.75 SMN1; SMN2 (0.51) LMNACHRNA7ACHETDP1ALDH1A1
SCHEMBL13075027 0.75 SMN1; SMN2 (0.51) LMNACHRNA7ACHETDP1ALDH1A1
SCHEMBL23429020 0.73 ACP3 (0.45) LMNAACHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636670-B2 Catalysts, ligands and use thereof OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-02 — — US disclosed
US-9636670-B2 Catalysts, ligands and use thereof OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-02 — — US disclosed
US-9636670-B2 Catalysts, ligands and use thereof OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-02 — — US disclosed
US-20160074852-A1 CATALYSTS, LIGANDS AND USE THEREOF ISIS INNOVATION LIMITED (GB) 2016-03-17 — — US disclosed
US-20160074852-A1 CATALYSTS, LIGANDS AND USE THEREOF ISIS INNOVATION LIMITED (GB) 2016-03-17 — — US disclosed
EP-2986375-A2 CATALYSTS, LIGANDS AND USE THEREOF Isis Innovation Limited (GB) 2016-02-24 — — EP disclosed
WO-2014170642-A2 CATALYSTS, LIGANDS AND USE THEREOF ISIS INNOVATION LIMITED (GB) 2014-10-23 — — WO disclosed
WO-2014170642-A2 CATALYSTS, LIGANDS AND USE THEREOF ISIS INNOVATION LIMITED (GB) 2014-10-23 — — 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-20160074852-A1 CATALYSTS, LIGANDS AND USE THEREOF SPR, SQOR, COASY AKT1 1393/4885LMNA 3379/4885CHRNA7 4268/4885

“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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