SCHEMBL14745319

SCHEMBL14745319

Brc1ccc2c(ccn2CC2OCCO2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
KRAS P01116 8/20 0.46
HTR7 P34969 3/20 0.45
NTSR1 P30989 1/20 0.43
MAPT P10636 1/20 0.42
FABP4 P15090 2/20 0.37
FABP3 P05413 1/20 0.37
FABP2 P12104 1/20 0.37
FABP5 Q01469 1/20 0.37
ROCK1 Q13464 1/20 0.37
PRMT5 O14744 2/20 0.36

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
SCHEMBL29107222 0.80 HTR7 (0.53) HTR2AHTR2CKRASHTR7NTSR1
SCHEMBL2797412 0.77 NAMPT (0.45) KRASMAPT
SCHEMBL17063357 0.74 HTR2A (0.47) HTR2AHTR2CKRASHTR7NTSR1
SCHEMBL14744883 0.73 HPGD (0.45) MAPT
Hydrochloric Acid SCHEMBL17063302 0.72 HTR2A (0.46) HTR2AHTR2CKRASHTR7
SCHEMBL3046803 0.72 HTR2A (0.55) HTR2AHTR2CKRASHTR7NTSR1
SCHEMBL3478164 0.72 HTR2A (0.63) HTR2AHTR2CKRASHTR7NTSR1
SCHEMBL18857014 0.72 HTR2A (0.58) HTR2AHTR2CKRASHTR7NTSR1
SCHEMBL16416706 0.72 HTR7 (0.67) HTR2AHTR2CHTR7
SCHEMBL849259 0.72 HTR2A (0.45) HTR2AHTR2CKRASHTR7NTSR1

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-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP HTR2A 4824/4885HTR2C 4845/4885KRAS 978/4885

“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.