SCHEMBL3682166

SCHEMBL3682166

CN1CCC(c2cccc3[nH]ccc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ATM Q13315 1/20 0.55
ADRA1A P35348 1/20 0.51
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
THPO P40225 1/20 0.49
HTR1A P08908 2/20 0.47
APP P05067 1/20 0.47
JAK1 P23458 1/20 0.46
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CREBBP Q92793 1/20 0.45
HTR2A P28223 1/20 0.43
ADRA1D P25100 2/20 0.43
HTR1F P30939 2/20 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
SCHEMBL17429447 0.85 HTR1A (0.51) ADRA1AHTR1A
SCHEMBL11226328 0.82 KDM4E (0.57) KDM4EATMADRA1AHTR1AHTR2A
SCHEMBL14027792 0.82 HTR1A (0.47) ADRA1AHTR1AJAK1
SCHEMBL8995183 0.80 HTR1A (0.48) ADRA1AHTR1AJAK1ADRA1D
SCHEMBL3256692 0.79 KDM4E (0.83) KDM4EATMHTR1DHTR1BCYP1A2
SCHEMBL30415306 0.79 KDM4E (0.83) KDM4EATMHTR1DHTR1BCYP1A2
SCHEMBL10676145 0.79 HTR2C (0.63) ADRA1AHTR1AAPPJAK1
Hydrochloric Acid SCHEMBL27732898 0.78 KDM4E (0.81) KDM4EATMHTR1DHTR1BCYP1A2
SCHEMBL3671316 0.76 TRPV1 (0.47) KDM4EATMHTR1DHTR1BCYP1A2
SCHEMBL14143336 0.76 JAK1 (0.57) KDM4EADRA1AJAK1BRD4ALDH1A1

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
CN-101730680-A Has 5-HT 64 ' the compound that replaces of receptor affinity MEMORY PHARM CORP 2010-06-09 CN disclosed
EP-2162433-A2 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2010-03-17 EP disclosed
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-25 US disclosed
WO-2008147812-A2 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-04 WO disclosed
US-6255306-B1 PSYCHOLOGICAL DISORDERS MACOR JOHN E (US) 2001-07-03 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 (1 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-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1B, HTR3B KDM4E 1481/4885ATM 3846/4885ADRA1A 151/4885

“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.