SCHEMBL3008740

SCHEMBL3008740

COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.52
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
MTTP P55157 4/20 0.40
TACR1 P25103 1/20 0.39
S1PR1 P21453 1/20 0.38

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
SCHEMBL3832646 1.00 SLC6A9 (0.52) SLC6A9CYP2D6CYP2C19SLC6A5MTTP
SCHEMBL3014546 1.00 SLC6A9 (0.52) SLC6A9CYP2D6CYP2C19SLC6A5MTTP
SCHEMBL29765315 1.00 SLC6A9 (0.52) SLC6A9CYP2D6CYP2C19SLC6A5MTTP
SCHEMBL3239910 0.99 SLC6A9 (0.51) SLC6A9CYP2D6CYP2C19SLC6A5MTTP
SCHEMBL3243383 0.99 SLC6A9 (0.51) SLC6A9CYP2D6CYP2C19SLC6A5MTTP
Hydrochloric Acid SCHEMBL3243468 0.99 SLC6A9 (0.51) SLC6A9CYP2D6CYP2C19SLC6A5MTTP
Succinic Acid SCHEMBL3836544 0.96 SLC6A9 (0.49) SLC6A9CYP2D6CYP2C19SLC6A5MTTP
Succinic Acid SCHEMBL3831049 0.96 SLC6A9 (0.49) SLC6A9CYP2D6CYP2C19SLC6A5MTTP
Succinic Acid SCHEMBL3830489 0.96 SLC6A9 (0.49) SLC6A9CYP2D6CYP2C19SLC6A5MTTP
SCHEMBL3238676 0.90 SLC6A9 (0.44) SLC6A9TACR1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184996-A1 PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2010-07-22 US claimed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US claimed
EP-2041082-B1 PYRROLIDINE DERIVATIVES HAVING ACTIVITY AT THE GLYT1 TRANSPORTER GLAXO GROUP LTD (GB) 2009-09-30 EP claimed
US-20080070973-A1 Compounds having activity at the GlyT1 transporter GLAXO GROUP LIMITED (GB) 2008-03-20 US claimed
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors DISC MEDICINE, INC. (US) 2023-11-14 US disclosed
US-20210283129-A1 METHODS OF TREATING ERYTHROPOIETIC PROTOPORPHYRIA, X-LINKED PROTOPORPHYRIA, OR CONGENITAL ERYTHROPOIETIC PORPHYRIA WITH GLYCINE TRANSPORT INHIBITORS DISC MEDICINE, INC. 2021-09-16 US disclosed
US-11117868-B2 Edaravone salt TREEWAY TW001 B.V. (NL) 2021-09-14 US disclosed
US-20200308120-A1 EDARAVONE SALT TREEWAY TW001 B.V. (NL) 2020-10-01 US disclosed
US-20100184996-A1 PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2010-07-22 US disclosed
US-20100184996-A1 PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2010-07-22 US disclosed
US-20100184996-A1 PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2010-07-22 US disclosed
US-20100184996-A1 PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2010-07-22 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080070973-A1 Compounds having activity at the GlyT1 transporter GLAXO GROUP LIMITED (GB) 2008-03-20 US disclosed
US-20080070973-A1 Compounds having activity at the GlyT1 transporter GLAXO GROUP LIMITED (GB) 2008-03-20 US disclosed
US-20080070973-A1 Compounds having activity at the GlyT1 transporter GLAXO GROUP LIMITED (GB) 2008-03-20 US disclosed
US-20080070973-A1 Compounds having activity at the GlyT1 transporter GLAXO GROUP LIMITED (GB) 2008-03-20 US disclosed
WO-2007147831-A1 PYRROLIDINE DERIVATIVES HAVING ACTIVITY AT THE GLYT1 TRANSPORTER GLAXO GROUP LIMITED (GB) 2007-12-27 WO disclosed
WO-2007147831-A1 PYRROLIDINE DERIVATIVES HAVING ACTIVITY AT THE GLYT1 TRANSPORTER GLAXO GROUP LIMITED (GB) 2007-12-27 WO disclosed
WO-2007147831-A1 PYRROLIDINE DERIVATIVES HAVING ACTIVITY AT THE GLYT1 TRANSPORTER GLAXO GROUP LIMITED (GB) 2007-12-27 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 (7 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-20100184996-A1 PROCESS OF AMIDE FORMATION ADH1C, ADH5, ADH1A SLC6A9 2553/4885CYP2D6 1196/4885CYP2C19 3090/4885
US-20200308120-A1 EDARAVONE SALT SYMPK, EDNRA, NEK5 SLC6A9 1281/4885CYP2D6 263/4885CYP2C19 423/4885
US-11117868-B2 Edaravone salt SYMPK, EDNRA, NEK5 SLC6A9 1281/4885CYP2D6 263/4885CYP2C19 423/4885
US-20210283129-A1 METHODS OF TREATING ERYTHROPOIETIC PROTOPORPHYRIA, X-LINKED PROTOPORPHYRIA, OR CONGENITAL ERYTHROPOIETIC PORPHYRIA WITH GLYCINE TRANSPORT INHIBITORS GFPT1, MPST, XPNPEP1 SLC6A9 19/4885CYP2D6 739/4885CYP2C19 771/4885
US-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 SLC6A9 13/4885CYP2D6 443/4885CYP2C19 623/4885
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors GFPT1, MPST, XPNPEP1 SLC6A9 19/4885CYP2D6 739/4885CYP2C19 771/4885
US-20080070973-A1 Compounds having activity at the GlyT1 transporter SLC6A7, SLC6A1, SLC6A4 SLC6A9 27/4885CYP2D6 311/4885CYP2C19 785/4885

“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.