SCHEMBL3890671

SCHEMBL3890671

NCC(F)(F)c1ccc(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAOB P27338 1/20 0.37
TRPA1 O75762 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
PLAU P00749 1/20 0.35
NFE2L2 Q16236 2/20 0.34
F2 P00734 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP19A1 P11511 1/20 0.33
CETP P11597 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
Hydrochloric Acid SCHEMBL27181781 0.98 GRIN2B (0.39) GRIN2BCYP2D6KCNH2MAOBTRPA1
Hydrochloric Acid SCHEMBL30615165 0.98 GRIN2B (0.39) GRIN2BCYP2D6KCNH2MAOBTRPA1
SCHEMBL17583179 0.81 GRIN2B (0.37) GRIN2BCYP2D6KCNH2TRPA1TRPV4
SCHEMBL18443093 0.81 GRIN2B (0.37) GRIN2BCYP2D6KCNH2TRPA1TRPV4
SCHEMBL29937655 0.77 TRPV4 (0.58) KCNH2TRPV4ADRA2AADRA2BADRA2C
SCHEMBL2129781 0.77 TRPV4 (0.58) KCNH2TRPV4ADRA2AADRA2BADRA2C
SCHEMBL3890931 0.77 NOS3 (0.42) GRIN2BKCNH2TRPV4ADRA2AADRA2B
SCHEMBL24468446 0.77 F2 (0.37) GRIN2BCYP2D6KCNH2F2CETP
SCHEMBL29106282 0.74 CYP1A2 (0.41) KCNH2MAOBADRA2AADRA2BADRA2C
SCHEMBL21994683 0.74 TRPV4 (0.39) TRPA1TRPV4ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022115377-A1 TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS AMGEN INC. (US) 2022-06-02 WO disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
EP-1613319-B1 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2009-06-03 EP disclosed
EP-1613319-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
US-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. 2004-12-16 US disclosed
WO-2004091613-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-10-28 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-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors TFPI, F12, SPINT2 GRIN2B 4551/4885CYP2D6 1269/4885KCNH2 2737/4885

“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.