SCHEMBL4563402

SCHEMBL4563402

FC(F)(F)N1CCN(c2ccccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.56
▸ PLD1 Q13393 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KDM4E B2RXH2 5/20 0.51
▸ MAPT P10636 1/20 0.51
▸ DRD2 P14416 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ BACE1 P56817 1/20 0.49
▸ LMNA P02545 1/20 0.49

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
SCHEMBL15800694 0.84 PLD1 (0.73) PLD1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL29857922 0.84 PLD1 (0.73) PLD1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL21353591 0.84 — —
SCHEMBL136881 0.82 PLD1 (0.56) HTTPLD1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30416085 0.78 DRD2 (0.55) HTTPLD1ALDH1A1KDM4EMAPT
SCHEMBL18893549 0.78 KDM4E (0.59) PLD1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL19954286 0.78 DRD2 (0.55) HTTPLD1ALDH1A1KDM4EMAPT
SCHEMBL16587650 0.77 KDM4E (0.50) HTTPLD1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29462629 0.77 PLD1 (0.68) PLD1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL18228078 0.77 PLD1 (0.68) PLD1ALDH1A1SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105612153-A Substituted sulfonamide compounds as TRPA1 conditioner HOFFMANN LA ROCHE 2016-05-25 — — CN disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 — — 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 (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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 HTT 1727/4885PLD1 703/4885ALDH1A1 3104/4885

“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.

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