SCHEMBL3589193

SCHEMBL3589193

CCCc1cc[c]cc1N1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
DRD3 P35462 4/20 0.44
HTR1A P08908 2/20 0.44
DRD4 P21917 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
NCF1 P14598 1/20 0.40
BRD9 Q9H8M2 3/20 0.38
ADRA2C P18825 1/20 0.37
BRD7 Q9NPI1 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
PTK2B Q14289 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
IKBKB O14920 1/20 0.34
BRD4 O60885 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
SCHEMBL3595550 0.89 DRD2 (0.55) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL13061367 0.80 NCF1 (0.59) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL16463118 0.76 ADRA2C (0.43) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL188681 0.74 NCF1 (0.39) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL3598987 0.74 ALDH1A1 (0.43) DRD2DRD3DRD4MAPTGAA
SCHEMBL4173801 0.73 DRD2 (0.45) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL3584990 0.73 ALDH1A1 (0.47) DRD2DRD3NCF1ADRA2CKDM4E
SCHEMBL3589113 0.73 DRD2 (0.50) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL188661 0.73 NCF1 (0.41) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL3591857 0.73 HRH4 (0.37) DRD2DRD3HTR1ADRD4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
CN-101516888-A Pyrazolo [1, 5-a] pyrimidine derivatives and their therapeutic use NOVARTIS AG (CH) 2009-08-26 CN 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN DRD2 4782/4885DRD3 4637/4885HTR1A 3392/4885

“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.