SCHEMBL3131415

SCHEMBL3131415

CC(C)NCc1cccc(CO)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
LMNA P02545 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
PDCD1LG2 Q9BQ51 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
HRH1 P35367 1/20 0.36
CASR P41180 1/20 0.35
ADRA2C P18825 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 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
SCHEMBL9238080 0.81 PNMT (0.50) BCHEACHELMNAADRB2ADRB1
SCHEMBL16363482 0.81 BCHE (0.51) BCHEACHELMNACD274HRH1
SCHEMBL16960713 0.78 PNMT (0.44) LMNACD274KDM4EALDH1A1
SCHEMBL3134510 0.75 PDCD1LG2 (0.43) ADRB2ADRB1PDCD1LG2CD274KMT2A
SCHEMBL10910313 0.75 BCHE (0.53) BCHEACHEADRB2ADRB1ADRA2C
SCHEMBL3272017 0.74 BCHE (0.55) BCHEACHELMNAHRH1ADRA2C
SCHEMBL25453552 0.74 MEN1 (0.43) LMNAKMT2AKDM4EPOLB
SCHEMBL2471237 0.73 LMNA (0.64) BCHEACHELMNAADRB2ADRB1
SCHEMBL21345495 0.73 LMNA (0.46) BCHEACHELMNAADRB2ADRB1
SCHEMBL16950743 0.72 GABRA1 (0.50) LMNACD274ALDH1A1

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-20190125699-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN CIPHER PHARMACEUTICALS INC. (CA) 2019-05-02 US disclosed
US-9907765-B2 Treatment of connective tissue diseases of the skin CIPHER PHARMACEUTICALS INC. (CA) 2018-03-06 US disclosed
US-20170157068-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ASTION PHARMA A/S (DK) 2017-06-08 US disclosed
US-20130237607-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ASTION DEVELOPMENT A/S (DK) 2013-09-12 US disclosed
US-8426475-B2 Treatment of connective tissue diseases of the skin ASTION DEVELOPMENT A/S (DK) 2013-04-23 US disclosed
EP-1719507-B1 Beta-2 adrenoceptor agonists for treating connective tissue diseases of the skin ASTION DEV AS (DK) 2010-07-14 EP disclosed
WO-2006108424-A9 BETA-2 ADRENOCEPTOR AGONISTS FOR TREATING CONNECTIVE TISSUE DISEASES OF THE SKIN ASTION DEV AS (DK) 2007-08-09 WO disclosed
WO-2006108424-A2 BETA-2 ADRENOCEPTOR AGONISTS FOR TREATING CONNECTIVE TISSUE DISEASES OF THE SKIN ASTION PHARMA A/S (DK) 2006-10-19 WO disclosed
US-20060235048-A1 Treatment of connective tissue diseases of the skin ASTION DEVELOPMENT A/S 2006-10-19 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 (4 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-20130237607-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ADRB2, ADRB1, ADRA2A BCHE 2294/4885ACHE 1875/4885LMNA 391/4885
US-20060235048-A1 Treatment of connective tissue diseases of the skin ADRB2, ADRB1, ADRA2A BCHE 2294/4885ACHE 1875/4885LMNA 391/4885
US-20170157068-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ADRB2, ADRB1, ADRA2A BCHE 2294/4885ACHE 1875/4885LMNA 391/4885
US-20190125699-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ADRB2, ADRB1, ADRA2A BCHE 2294/4885ACHE 1875/4885LMNA 391/4885

“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.