SCHEMBL22369873

SCHEMBL22369873

CCNC12CC(c3ccc(C(F)(F)F)cc3)(C1)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 5/20 0.42
▸ SLC6A4 P31645 4/20 0.42
▸ SLC6A2 P23975 1/20 0.39
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ KDM1A O60341 2/20 0.39
▸ OPRM1 P35372 2/20 0.38
▸ OPRL1 P41146 2/20 0.38
▸ RCOR1 Q9UKL0 1/20 0.36
▸ KIF11 P52732 3/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL22369876 0.81 CDK1 (0.41) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL22369869 0.72 ATF4 (0.39) SLC6A3SLC6A4LMNAHTT
SCHEMBL22369880 0.71 MAOA (0.50) SLC6A3SLC6A4SLC6A2MAOAMAOB
Hydrochloric Acid SCHEMBL20565118 0.69 MAOB (0.48) SLC6A3SLC6A4SLC6A2MAOAMAOB
SCHEMBL29525490 0.69 RORC (0.41) LMNAHTT
SCHEMBL29525428 0.66 APP (0.44) MAOAMAOBKDM1AOPRM1OPRL1
SCHEMBL23141350 0.65 KDM4E (0.51) KMT2A
SCHEMBL21322308 0.64 GRIN2D (0.36) —
Hydrochloric Acid SCHEMBL20564400 0.62 GRIN2D (0.35) —
SCHEMBL1797711 0.62 KIF11 (0.52) KIF11MEN1KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200270221-A1 ANALGESIC COMPOUNDS KTHERA, LLC 2020-08-27 — — 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-20200270221-A1 ANALGESIC COMPOUNDS INA, IK, ACHE SLC6A3 1919/4885SLC6A4 1670/4885SLC6A2 1838/4885

“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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