SCHEMBL22729277

SCHEMBL22729277

O=[N+]([O-])c1ccc2c(c1)CCN2C[C@H]1CC[C@H](C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.43
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PNMT P11086 3/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ SERPINE1 P05121 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL21224595 0.81 ALDH1A1 (0.33) MAPTMAPK1PNMTADRA2ASIGMAR1
SCHEMBL20850849 0.75 HRH3 (0.45) NPC1MAPTSIGMAR1ALDH1A1TDP1
SCHEMBL3355193 0.73 MAPT (0.49) NOTUMNPC1MAPTMAPK1RAB9A
SCHEMBL30168551 0.73 MAPT (0.49) NOTUMNPC1MAPTMAPK1RAB9A
SCHEMBL28239511 0.73 MAPT (0.49) NPC1MAPTMAPK1RAB9APNMT
SCHEMBL15524921 0.72 DRD4 (0.47) NPC1MAPTMAPK1RAB9ASERPINE1
SCHEMBL5678082 0.71 LMNA (0.53) NPC1MAPTMAPK1RAB9APNMT
SCHEMBL1867023 0.71 MAPT (0.45) NPC1MAPTMAPK1RAB9APNMT
SCHEMBL18422001 0.71 GRIN2B (0.47) SIGMAR1ALDH1A1KMT2ADRD4TDP1
SCHEMBL31036104 0.71 ALDH1A1 (0.47) MAPTMAPK1PNMTADRA2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2020-12-17 — — US disclosed
US-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2020-12-17 — — US disclosed
EP-3747879-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2020-12-09 — — EP 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-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF NPR3, SLC10A1, CNR2 NOTUM 3685/4885NPC1 609/4885MAPT 3679/4885

“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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