SCHEMBL6832529

SCHEMBL6832529

O=C1CCN(C(=O)Nc2ccc(CF)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPT P10636 4/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ RIN1 Q13671 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ATM Q13315 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ FAAH O00519 3/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.44

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
SCHEMBL7434832 0.80 CNR2 (0.57) RAB9ANPC1KMT2APOLBATM
SCHEMBL7437931 0.80 GAA (0.62) RAB9ANPC1KMT2AMAPTTDP1
SCHEMBL7438084 0.80 NPC1 (0.71) RAB9ANPC1KMT2AMAPTABL1
SCHEMBL3151233 0.79 CYP2C9 (0.65) RAB9ANPC1MAPTPOLBALDH1A1
SCHEMBL6764534 0.79 NAMPT (0.61) MAPTFAAH
SCHEMBL6764523 0.77 NPC1 (0.71) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL6764498 0.76 CNR2 (0.59) —
SCHEMBL12626568 0.76 MAPT (0.79) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL9466324 0.75 RAB9A (0.63) RAB9ANPC1KMT2AMAPTABL1
SCHEMBL723978 0.75 RAB9A (0.63) RAB9ANPC1KMT2AMAPTABL1

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-8178560-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2012-05-15 — — US disclosed
US-20100331369-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. (US) 2010-12-30 — — 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-20100331369-A1 Therapeutic Agents Useful for Treating Pain GRIN1, GRIK1, GRIN2B RAB9A 963/4885NPC1 748/4885KMT2A 2436/4885

“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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