SCHEMBL445049

SCHEMBL445049

O=C1CC(Oc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.55
SLC6A2 P23975 4/20 0.47
SLC6A3 Q01959 4/20 0.47
SLC6A4 P31645 3/20 0.47
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
HTR7 P34969 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
ALOX5 P09917 1/20 0.38
FFAR1 O14842 1/20 0.37
NAAA Q02083 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSH P09668 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 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
SCHEMBL3437939 0.81 HRH1 (0.50) HRH1SLC6A2SLC6A3SLC6A4DDB1
SCHEMBL146600 0.78 HRH1 (0.57) HRH1SLC6A2SLC6A3SLC6A4DDB1
SCHEMBL29856 0.75 HRH1 (0.71) HRH1SLC6A2SLC6A3SLC6A4DDB1
SCHEMBL28879516 0.74 HRH1 (0.43) HRH1SLC6A2SLC6A3SLC6A4DDB1
SCHEMBL3740260 0.74 HRH1 (0.47) HRH1SLC6A2SLC6A3SLC6A4DDB1
Ammonia Solution, Strong SCHEMBL8078606 0.73 HRH1 (0.68) HRH1SLC6A2SLC6A3SLC6A4DDB1
SCHEMBL30182887 0.73 SLC6A2 (0.57) HRH1SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL20046785 0.73 SLC6A2 (0.57) HRH1SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL31196932 0.72 NFKB1 (0.42) GAAMAPTALDH1A1TDP1
SCHEMBL796490 0.71 HRH1 (0.65) HRH1SLC6A2SLC6A3SLC6A4CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481735-A1 Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials Pfizer Inc. (US) 2012-08-01 EP disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
EP-2155716-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS Pfizer Inc. (US) 2010-02-24 EP disclosed
WO-2008139288-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS PFIZER INC. (US) 2008-11-20 WO disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 HRH1 133/4885SLC6A2 3720/4885SLC6A3 2738/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 HRH1 133/4885SLC6A2 3720/4885SLC6A3 2738/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 HRH1 133/4885SLC6A2 3720/4885SLC6A3 2738/4885

“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.