SCHEMBL12626513

SCHEMBL12626513

O=C1CCN(Cc2cccc3cccnc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.51
▸ HTR5A P47898 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR1B P28222 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR1F P30939 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ BCHE P06276 1/20 0.45
▸ LMNA P02545 4/20 0.45
▸ PKM P14618 2/20 0.45
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43

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
SCHEMBL23507304 0.84 KDM4E (0.56) DAOHTR5AALDH1A1KMT2AADRB2
SCHEMBL16825209 0.83 KDM4E (0.58) DAOHTR5AALDH1A1KMT2AADRB2
SCHEMBL17946069 0.81 HTR2C (0.57) DAOHTR5AALDH1A1KMT2AADRB2
SCHEMBL22904522 0.79 DAO (0.51) DAOHTR5AALDH1A1KMT2AADRB2
SCHEMBL23775499 0.78 HTR1A (0.55) DAOHTR5AALDH1A1KMT2AADRB2
SCHEMBL2577050 0.77 HCRTR1 (0.50) DAOHTR5AALDH1A1KMT2AADRB2
SCHEMBL5779701 0.75 KDM1A (0.42) ALDH1A1KMT2ABCHEMAPK1KDM4E
SCHEMBL18661485 0.75 ACHE (0.60) KMT2ADRD2DRD3LMNAMAPK1
SCHEMBL22000267 0.74 DAO (0.55) DAOHTR5AALDH1A1KMT2ALMNA
SCHEMBL3565769 0.74 HTR2A (0.65) ALDH1A1KMT2AHTR1ADRD2HTR1D

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 9 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-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-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY 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 (5 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 DAO 1691/4885HTR5A 1731/4885ALDH1A1 2575/4885
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, FPR1 DAO 1786/4885HTR5A 2043/4885ALDH1A1 3041/4885
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 DAO 1561/4885HTR5A 2590/4885ALDH1A1 2702/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 DAO 1561/4885HTR5A 2590/4885ALDH1A1 2702/4885
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 DAO 1691/4885HTR5A 1731/4885ALDH1A1 2575/4885

“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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