SCHEMBL13633202

SCHEMBL13633202

CNCCCOc1ccccc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.66
HRH1 P35367 3/20 0.65
DRD2 P14416 2/20 0.63
DRD4 P21917 2/20 0.63
SLC6A4 P31645 2/20 0.62
DRD3 P35462 1/20 0.59
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
HTR1D P28221 1/20 0.54
CYP2C19 P33261 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51

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
Hydrochloric Acid SCHEMBL6071440 0.98 HTR1B (0.64) HTR1BHRH1DRD2DRD4SLC6A4
SCHEMBL6318521 0.94 HTR1B (0.73) HTR1BHRH1DRD2DRD4SLC6A4
SCHEMBL10993201 0.90 HTR1B (0.58) HTR1BHRH1DRD2DRD4SLC6A4
SCHEMBL10984635 0.84 CYP1A2 (0.59) HTR1BHRH1DRD2DRD4SLC6A4
SCHEMBL23067912 0.84 DRD2 (0.77) HTR1BDRD2DRD4DRD3CYP1A2
SCHEMBL9808080 0.83 ALDH1A1 (0.62) DRD2DRD4DRD3CYP1A2L3MBTL1
SCHEMBL11679951 0.83 CYP2D6 (0.61) DRD2DRD4DRD3CYP1A2L3MBTL1
SCHEMBL18773934 0.81 DRD2 (0.69) HTR1BDRD2DRD4DRD3CYP1A2
SCHEMBL7908960 0.81 HTR1B (0.69) HTR1BHRH1SLC6A4CYP1A2CYP3A4
SCHEMBL1592876 0.81 TDP1 (0.60) DRD2DRD4DRD3CYP1A2L3MBTL1

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-7619005-B2 Methods for treating cognitive impairment in humans with Multiple Sclerosis COGNITION PHARMACEUTICALS LLC (US) 2009-11-17 US disclosed
US-20070197663-A1 Methods of treating memory and cognitive impairments in humans following stroke and traumatic brain injury EPSTEIN MEL H 2007-08-23 US disclosed
US-20070117869-A1 Methods for treating coginitive impairment and improving cognition COGNITION PHARMACEUTICALS LLC 2007-05-24 US disclosed
US-20070099999-A1 Methods of treating depression EPSTEIN MEL H 2007-05-03 US disclosed
WO-2007000550-A2 NOVEL INDOLINE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2007-01-04 WO 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-20070099999-A1 Methods of treating depression HTR1A, HTR1D, PNMT HTR1B 8/4885HRH1 4173/4885DRD2 56/4885
US-20070197663-A1 Methods of treating memory and cognitive impairments in humans following stroke and traumatic brain injury PNMT, COMT, MAP2 HTR1B 76/4885HRH1 4662/4885DRD2 188/4885
US-20070117869-A1 Methods for treating coginitive impairment and improving cognition COMT, PNMT, CHAT HTR1B 18/4885HRH1 4614/4885DRD2 60/4885

“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.