SCHEMBL12627004

SCHEMBL12627004

CC(=O)c1ccc(CN2CCC3(CC2)NC(=O)CO3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ RCOR1 Q9UKL0 1/20 0.53
▸ HRH3 Q9Y5N1 8/20 0.46
▸ CYP2D6 P10635 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL17150204 0.83 SIGMAR1 (0.51) CYP2D6KMT2AMEN1CYP2C9TSHR
SCHEMBL12626437 0.78 KDM1A (0.53) KDM1AMAOBRCOR1HRH3CYP2D6
SCHEMBL12624100 0.77 ALDH1A1 (0.57) KMT2ATSHR
SCHEMBL25145875 0.75 KDM1A (0.70) KDM1AMAOBRCOR1HRH3CYP2D6
SCHEMBL12626443 0.73 KDM1A (0.48) KDM1AMAOBRCOR1HRH3CYP2D6
SCHEMBL24733057 0.73 HRH3 (0.75) KDM1AMAOBRCOR1HRH3KMT2A
SCHEMBL540760 0.72 HRH3 (0.65) HRH3KMT2A
SCHEMBL12627005 0.72 HRH3 (0.57) KDM1AMAOBRCOR1HRH3KMT2A
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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC BURNS BARBIER LINDSAY (US) 2016-09-01 — — US disclosed
US-9340558-B2 Filamin a binding anti-inflammatory and analgesic PAIN THERAPEUTICS INC. (US) 2016-05-17 — — US disclosed
US-8653068-B2 Filamin A binding anti-inflammatory and analgesic PAIN THERAPEUTICS, INC. (US) 2014-02-18 — — US disclosed
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND 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 (3 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-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 KDM1A 3855/4885MAOB 1100/4885RCOR1 3465/4885
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, FPR1 KDM1A 3651/4885MAOB 1174/4885RCOR1 3994/4885
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 KDM1A 3855/4885MAOB 1100/4885RCOR1 3465/4885

“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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