SCHEMBL1369775

SCHEMBL1369775

c1ccc(CC(c2c[nH]nn2)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A3 Q01959 4/20 0.36
SLC6A4 P31645 3/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR2A P28223 2/20 0.36
ADRA1A P35348 2/20 0.36
KCNH2 Q12809 2/20 0.36
OPRK1 P41145 2/20 0.36
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 4/20 0.33
TSHR P16473 4/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
EPHX1 P07099 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
SCHEMBL19526 0.86 CYP1A2 (0.37) SIGMAR1SLC6A2SLC6A3SLC6A4ADRA2B
SCHEMBL194644 0.74 CYP1A2 (0.53) SIGMAR1SLC6A2SLC6A3SLC6A4CYP1A2
SCHEMBL2652667 0.74 CYP1A2 (0.38) SIGMAR1SLC6A2SLC6A3SLC6A4CYP1A2
SCHEMBL1715656 0.72 SRR (0.40) SIGMAR1SLC6A2SLC6A3SLC6A4CYP1A2
SCHEMBL10632921 0.71 CYP1A2 (0.36) SIGMAR1SLC6A2SLC6A3SLC6A4CYP1A2
SCHEMBL10793187 0.70 CYP1A2 (0.35) SIGMAR1SLC6A2SLC6A3SLC6A4CYP1A2
SCHEMBL27860489 0.70 SLC6A2 (0.36) SIGMAR1SLC6A2SLC6A3SLC6A4ADRA2B
SCHEMBL29661913 0.66 CNR2 (0.40) OPRK1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL11066730 0.66 RCE1 (0.37) SLC6A2SLC6A3SLC6A4CYP1A2ALDH1A1
SCHEMBL28056734 0.66 CYP2C19 (0.38) SLC6A2SLC6A3SLC6A4KCNH2CYP2D6

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-9290581-B2 Immobilized proteins and methods and uses thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-03-22 US disclosed
US-20140378670-A1 Immobilized Proteins and Methods and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-25 US disclosed
US-8916137-B2 Monofunctional carbocyanine dyes for in vivo and in vitro imaging THE GENERAL HOSPITAL CORPORATION (US) 2014-12-23 US disclosed
US-20130137858-A1 IMMOBILIZED PROTEINS AND METHODS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-05-30 US disclosed
US-8188241-B2 Immobilized proteins and methods and uses thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-05-29 US disclosed
US-20110286933-A1 MONOFUNCTIONAL CARBOCYANINE DYES FOR IN VIVO AND IN VITRO IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2011-11-24 US disclosed
WO-2010054330-A2 MONOFUNCTIONAL CARBOCYANINE DYES FOR IN VIVO AND IN VITRO IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2010-05-14 WO disclosed
US-20100069607-A1 METHOD OF COVALENTLY LINKING A CARBOHYDRATE OR POLYALKYLENE OXIDE TO A PEPTIDE, PRECURSORS FOR USE IN THE METHOD AND RESULTANT PRODUCTS UCL BUSINESS PLC (GB) 2010-03-18 US disclosed
US-20090069548-A1 Immobilized Proteins and Methods and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 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 (5 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-20110286933-A1 MONOFUNCTIONAL CARBOCYANINE DYES FOR IN VIVO AND IN VITRO IMAGING MKI67, HCCS, PYCR1 SIGMAR1 2279/4885SLC6A2 2052/4885SLC6A3 1416/4885
US-20130137858-A1 IMMOBILIZED PROTEINS AND METHODS AND USES THEREOF STUB1, MARCKS, SUMO3 SIGMAR1 3952/4885SLC6A2 4553/4885SLC6A3 3845/4885
US-20140378670-A1 Immobilized Proteins and Methods and Uses Thereof STUB1, MARCKS, SUMO3 SIGMAR1 3952/4885SLC6A2 4553/4885SLC6A3 3845/4885
US-20100069607-A1 METHOD OF COVALENTLY LINKING A CARBOHYDRATE OR POLYALKYLENE OXIDE TO A PEPTIDE, PRECURSORS FOR USE IN THE METHOD AND RESULTANT PRODUCTS MSR1, C9, ADM2 SIGMAR1 966/4885SLC6A2 4700/4885SLC6A3 4275/4885
US-20090069548-A1 Immobilized Proteins and Methods and Uses Thereof STUB1, MARCKS, SUMO3 SIGMAR1 3952/4885SLC6A2 4553/4885SLC6A3 3845/4885

“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.