SCHEMBL3135872

SCHEMBL3135872

CC(C)(C)NCc1c(CO)cc(Cl)c(N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.43
ADRB2 P07550 5/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10387231 0.73 ADRB2 (0.35) ADRB1ADRB2LMNATSHRHTR1A
SCHEMBL10254376 0.70 NUDT1 (0.35) ADRB1ADRB2TSHRKDM4ECYP1A2
SCHEMBL3136060 0.69 ADRB2 (0.42) ADRB1ADRB2LMNATSHRKDM4E
SCHEMBL12929941 0.68 ADRB2 (0.37) ADRB1ADRB2TSHRKDM4ECYP1A2
SCHEMBL10387739 0.68 MEN1 (0.38) ADRB1ADRB2TSHRKDM4ECYP1A2
SCHEMBL3134510 0.66 PDCD1LG2 (0.43) ADRB1ADRB2TSHRKDM4ECYP1A2
SCHEMBL11248023 0.65 ADRB1 (0.39) ADRB1ADRB2LMNATSHRHTR1A
SCHEMBL13950563 0.63 ADRB2 (0.46) ADRB1ADRB2KDM4ECYP2D6NFKB1
Methyl Alcohol SCHEMBL3127423 0.63 ADRB2 (0.51) ADRB1ADRB2LMNATSHRHTR1A
SCHEMBL594098 0.61 ADRB2 (0.44) ADRB1ADRB2LMNATSHRKDM4E

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 11 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
EP-1719507-A1 Beta-2 adrenoceptor agonists for treating connective tissue diseases of the skin Astion Development A/S (DK) 2006-11-08 EP 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
US-4906781-A Method for the preparation of 4'-(substituted)-amino-2-(substituted) amino-3',5'-dichloroacetophenone and salts thereof AMERICAN CYANAMID COMPANY (US) 1990-03-06 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 ADRB1 2/4885ADRB2 1/4885LMNA 391/4885
US-20060235048-A1 Treatment of connective tissue diseases of the skin ADRB2, ADRB1, ADRA2A ADRB1 2/4885ADRB2 1/4885LMNA 391/4885
US-20170157068-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ADRB2, ADRB1, ADRA2A ADRB1 2/4885ADRB2 1/4885LMNA 391/4885
US-20190125699-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ADRB2, ADRB1, ADRA2A ADRB1 2/4885ADRB2 1/4885LMNA 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.