SCHEMBL15078792

SCHEMBL15078792

N#Cc1cc(C#N)c(N)c(CNC2CCC(O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ GBA1 P04062 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CNR1 P21554 1/20 0.53
▸ TBXA2R P21731 1/20 0.53
▸ HRH2 P25021 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ CYP3A4 P08684 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CHEK1 O14757 1/20 0.39
▸ CHUK O15111 1/20 0.37
▸ PRKCQ Q04759 6/20 0.36
▸ PRKCD Q05655 5/20 0.36
▸ KDM1A O60341 2/20 0.35
▸ CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL23073295 0.87 LMNA (0.39) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL23073296 0.86 LMNA (0.52) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL23073305 0.73 ADRB2 (0.31) KDM1AADRB2
SCHEMBL23073289 0.70 KDM1A (0.35) TSHRTDP1CHEK1KDM1APABPC1
Ambroxol SCHEMBL423712 0.70 CYP2D6 (1.00) LMNAGBA1CYP1A2CYP2D6CNR1
Ambroxol SCHEMBL18702 0.70 CYP2D6 (1.00) LMNAGBA1CYP1A2CYP2D6CNR1
SCHEMBL31275125 0.70 KCNH2 (0.58) LMNAGBA1CYP1A2CYP2D6CNR1
Ambroxol SCHEMBL7855003 0.70 CYP2D6 (1.00) LMNAGBA1CYP1A2CYP2D6CNR1
Ambroxol SCHEMBL28472066 0.70 CYP2D6 (1.00) LMNAGBA1CYP1A2CYP2D6CNR1
Ambroxol SCHEMBL29380194 0.70 CYP2D6 (1.00) LMNAGBA1CYP1A2CYP2D6CNR1

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-20210228560-A1 Combination of a Compound Having the Ability to Rearrange a Lysosomal Enzyme and Ambroxol and/or a Derivative of Ambroxol CENTOGENE IP GMBH (DE) 2021-07-29 — — US disclosed
EP-2793872-B1 COMBINATION OF A COMPOUND HAVING THE ABILITY TO REARRANGE A LYSOSOMAL ENZYME AND AMBROXOL AND/OR A DERIVATIVE OF AMBROXOL CENTOGENE IP GMBH (DE) 2021-03-10 — — EP disclosed
US-20150258081-A1 COMBINATION OF A COMPOUND HAVING THE ABILITY TO REARRANGE A LYSOSOMAL ENZYME AND AMBROXOL AND/OR A DERIVATIVE OF AMBROXOL CENTOGENE IP GMBH (DE) 2015-09-17 — — US disclosed
US-20150258081-A1 COMBINATION OF A COMPOUND HAVING THE ABILITY TO REARRANGE A LYSOSOMAL ENZYME AND AMBROXOL AND/OR A DERIVATIVE OF AMBROXOL CENTOGENE IP GMBH (DE) 2015-09-17 — — US disclosed
WO-2013091897-A1 COMBINATION OF A COMPOUND HAVING THE ABILITY TO REARRANGE A LYSOSOMAL ENZYME AND AMBROXOL AND/OR A DERIVATIVE OF AMBROXOL CENTOGENE GMBH (DE) 2013-06-27 — — 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 (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-20210228560-A1 Combination of a Compound Having the Ability to Rearrange a Lysosomal Enzyme and Ambroxol and/or a Derivative of Ambroxol CMA1, MAN2B1, GBA3 LMNA 988/4885GBA1 4/4885CYP1A2 986/4885
US-20150258081-A1 COMBINATION OF A COMPOUND HAVING THE ABILITY TO REARRANGE A LYSOSOMAL ENZYME AND AMBROXOL AND/OR A DERIVATIVE OF AMBROXOL MAN2B1, CMA1, GBA1 LMNA 1561/4885GBA1 3/4885CYP1A2 819/4885

“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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