SCHEMBL12626437

SCHEMBL12626437

CC(=O)c1ccc(CN2CCC3(CC2)NCC(=O)N3)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ RCOR1 Q9UKL0 1/20 0.53
▸ NEK2 P51955 3/20 0.48
▸ HRH3 Q9Y5N1 7/20 0.46
▸ CYP2D6 P10635 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37

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
SCHEMBL12656172 0.78 NEK2 (0.48) KDM1AMAOBRCOR1NEK2KMT2A
SCHEMBL12627004 0.78 KDM1A (0.53) KDM1AMAOBRCOR1HRH3CYP2D6
SCHEMBL20019690 0.77 NEK2 (0.47) KDM1AMAOBRCOR1NEK2KMT2A
SCHEMBL25145875 0.75 KDM1A (0.70) KDM1AMAOBRCOR1HRH3CYP2D6
SCHEMBL12626443 0.73 KDM1A (0.48) KDM1AMAOBRCOR1HRH3CYP2D6
SCHEMBL24733057 0.73 HRH3 (0.75) KDM1AMAOBRCOR1HRH3KMT2A
SCHEMBL12627005 0.72 HRH3 (0.57) KDM1AMAOBRCOR1HRH3KMT2A
SCHEMBL12656308 0.72 NEK2 (0.66) NEK2TSHR
SCHEMBL11005203 0.72 HRH3 (0.76) HRH3HDAC6HDAC1HDAC8HRH4
SCHEMBL1482327 0.70 HDAC6 (0.69) KDM1AMAOBRCOR1HRH3HDAC6

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 KDM1A 3437/4885MAOB 522/4885RCOR1 3467/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 KDM1A 3437/4885MAOB 522/4885RCOR1 3467/4885

“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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