SCHEMBL3163003

SCHEMBL3163003

COc1ccc(C2CC(CO)CN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.42
▸ MAOA P21397 3/20 0.42
▸ MAOB P27338 2/20 0.42
▸ HTR2C P28335 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL1071708 0.80 MAOA (0.50) KDM1AMAOAMAOBHTR2CTDP1
SCHEMBL13801056 0.80 KDM1A (0.44) KDM1AMAOAMAOBHTR2CALDH1A1
SCHEMBL13452484 0.78 KDM1A (0.46) KDM1AMAOAMAOBHTR2CTDP1
SCHEMBL28713112 0.71 ESR2 (0.62) KDM1AMAOAMAOBTDP1ALDH1A1
SCHEMBL29209274 0.70 ESR2 (0.36) KDM1AS1PR4S1PR1S1PR3S1PR5
SCHEMBL16585494 0.69 HTR2C (0.67) KDM1AMAOAMAOBHTR2C
SCHEMBL17985307 0.69 HTR2C (0.67) KDM1AMAOAMAOBHTR2C
SCHEMBL19262122 0.69 HTR2C (0.67) KDM1AMAOAMAOBHTR2C
SCHEMBL16585495 0.69 HTR2C (0.67) KDM1AMAOAMAOBHTR2C
SCHEMBL8710342 0.69 GRIN1 (0.44) KDM1AMAOAMAOBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 — — US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 — — US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 — — US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 — — US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 — — US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 — — EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 — — US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 — — EP 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 KDM1A 2129/4885MAOA 2891/4885MAOB 2563/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 KDM1A 2129/4885MAOA 2891/4885MAOB 2563/4885

“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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