SCHEMBL20715568

SCHEMBL20715568

C[C@@H](CNc1cnc(C(F)(F)F)cn1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PCSK9 Q8NBP7 1/20 0.34
▸ BCDIN3D Q7Z5W3 1/20 0.33
▸ HCRTR1 O43613 8/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ KAT2B Q92831 2/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ HCRTR2 O43614 7/20 0.32
▸ AR P10275 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
SCHEMBL30658427 0.81 KCNH2 (0.43) KDM4EALDH1A1HCRTR1TLR7HDAC4
SCHEMBL24120466 0.81 KCNH2 (0.43) KDM4EALDH1A1HCRTR1TLR7HDAC4
SCHEMBL19203407 0.80 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
SCHEMBL19203405 0.80 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
SCHEMBL30658431 0.80 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
SCHEMBL19477571 0.78 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
Hydrochloric Acid SCHEMBL30361735 0.77 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
Hydrochloric Acid SCHEMBL28378739 0.77 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
Hydrochloric Acid SCHEMBL28378737 0.77 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2PCSK9BCDIN3D
SCHEMBL19477572 0.75 HCRTR1 (0.34) KDM4EALDH1A1SMN1; SMN2HCRTR1

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
US-10696654-B2 Therapeutic compounds C4X DISCOVERY LIMITED (GB) 2020-06-30 — — US disclosed
US-20190040041-A1 THERAPEUTIC COMPOUNDS INDIVIOR UK LIMITED (GB) 2019-02-07 — — 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 (2 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-10696654-B2 Therapeutic compounds HCRTR2, HCRTR1, NPY1R KDM4E 2777/4885ALDH1A1 1070/4885SMN1; SMN2 1337/4885
US-20190040041-A1 THERAPEUTIC COMPOUNDS HCRTR2, HCRTR1, NPY1R KDM4E 2777/4885ALDH1A1 1070/4885SMN1; SMN2 1337/4885

“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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