SCHEMBL3206033

SCHEMBL3206033

C1=C(c2c[nH]c3cccnc23)CCC(N2CCC2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.39
CDK7 P50613 1/20 0.39
SLC6A4 P31645 2/20 0.38
CCNT1 O60563 1/20 0.36
HTR1D P28221 1/20 0.34
TNKS O95271 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL3216107 0.98 CDK9 (0.39) CDK9CDK7SLC6A4CCNT1HTR1D
SCHEMBL2064461 0.77 CDK7 (0.39) CDK9CDK7SLC6A4KDM4EHSD17B10
SCHEMBL3227327 0.76 SLC6A4 (0.66) CDK9CDK7SLC6A4HTR1DKDM4E
SCHEMBL3214716 0.76 NOS3 (0.46) CDK9CDK7SLC6A4HTR1D
SCHEMBL7543009 0.75 MAPK11 (0.50) CDK9CDK7SLC6A4KDM4EHSD17B10
SCHEMBL3211442 0.73 HTR1D (0.46) CDK9CDK7SLC6A4HTR1D
SCHEMBL3653965 0.73 HTR1D (0.41) CDK9CDK7SLC6A4HTR1DFLT3
SCHEMBL3215983 0.73 HTR1A (0.50) SLC6A4HTR1D
SCHEMBL9697101 0.72 KDM4E (0.61) CDK9HTR1DKDM4EMEN1ALDH1A1
SCHEMBL3627711 0.72 SLC6A4 (0.64) SLC6A4KDM4EHSD17B10

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
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 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-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B CDK9 787/4885CDK7 537/4885SLC6A4 24/4885

“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.