SCHEMBL12626337

SCHEMBL12626337

CC(=O)c1ccc(CN2CCC3(CC2)OC(CN(C)C)CN3S(=O)(=O)c2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ RCOR1 Q9UKL0 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.37
▸ LMNA P02545 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
SCHEMBL12621853 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL12623892 0.88 LMNA (0.46) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL12623927 0.88 CYP19A1 (0.37) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL17553231 0.87 LIMK2 (0.39) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL12623903 0.84 ALDH1A1 (0.45) KDM1AMAOBRCOR1ALDH1A1SMN1; SMN2
SCHEMBL12626325 0.82 LIMK2 (0.44) —
SCHEMBL12626027 0.79 ALDH1A1 (0.49) KDM1AMAOBRCOR1ALDH1A1SMN1; SMN2
SCHEMBL20019642 0.75 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL20656763 0.75 CYP19A1 (0.37) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL12626946 0.74 HCRTR1 (0.53) ALDH1A1CYP2D6LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580809-B2 Filamin A-binding anti-inflammatory analgesic PAIN THERAPEUTICS, INC. (US) 2013-11-12 — — US disclosed
US-8580808-B2 Filamin A-binding anti-inflammatory analgesic Pain Therapeutic, Inc. (US) 2013-11-12 — — US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — 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-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 LSS 3121/4885KDM1A 3437/4885MAOB 522/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 LSS 3121/4885KDM1A 3437/4885MAOB 522/4885

“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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