SCHEMBL16649

SCHEMBL16649

OC(c1ccc(N2CCNCC2)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.52
ADRB1 P08588 5/20 0.50
HTR3E A5X5Y0 4/20 0.50
HTR3B O95264 4/20 0.50
HTR3A P46098 4/20 0.50
HTR3D Q70Z44 4/20 0.50
HTR3C Q8WXA8 4/20 0.50
SIGMAR1 Q99720 4/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HTR1D P28221 1/20 0.49
HTR2C P28335 1/20 0.49
GCKR Q14397 1/20 0.48
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
PLD1 Q13393 1/20 0.46
PDK2 Q15119 1/20 0.46

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
Hydrochloric Acid SCHEMBL17891 0.98 GCK (0.51) GCKADRB1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL17136 0.98 GCK (0.51) GCKADRB1HTR3EHTR3BHTR3A
Trifluoroacetic Acid SCHEMBL15842089 0.87 GCK (0.49) GCKADRB1HTR3EHTR3BHTR3A
SCHEMBL17675 0.83 ADRB1 (0.51) GCKADRB1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL16844 0.82 ADRB1 (0.50) GCKADRB1HTR3EHTR3BHTR3A
SCHEMBL233850 0.82 ADRB1 (0.67) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7178620 0.82 ADRB1 (0.67) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL2961970 0.80 MAPT (0.65) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL29882384 0.80 MAPT (0.65) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL12093437 0.79 GCK (0.56) GCKGCKR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084784-B2 ROR-gamma modulators and uses thereof Piramal Enterprises Limited (IN) 2021-08-10 US disclosed
US-20180215707-A1 ROR-GAMMA MODULATORS AND USES THEREOF Piramal Enterprises Limited (IN) 2018-08-02 US disclosed
WO-2013123444-A1 SULFONYL COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN AMGEN INC. (US) 2013-08-22 WO disclosed
EP-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 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 (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-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors SLC1A1, SLC6A7, SLC1A2 GCK 1531/4885ADRB1 890/4885HTR3E 1436/4885
US-11084784-B2 ROR-gamma modulators and uses thereof RORB, RORA, RORC GCK 4597/4885ADRB1 57/4885HTR3E 3277/4885
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, SLC5A2 GCK 2/4885ADRB1 2294/4885HTR3E 4241/4885
US-20180215707-A1 ROR-GAMMA MODULATORS AND USES THEREOF RORB, RORA, RORC GCK 4597/4885ADRB1 57/4885HTR3E 3277/4885

“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.