SCHEMBL3601316

SCHEMBL3601316

Cc1[c]ccc(N2CCN(C)CC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.42
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
PTK2B Q14289 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.36
GFER P55789 1/20 0.36
ESR2 Q92731 1/20 0.36
HTR3A P46098 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36

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
SCHEMBL16344358 0.78 MAPT (0.35) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL1449846 0.78 ADRA2C (0.50) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL3588890 0.74 ADRA2C (0.36) ADRA2CMAPTKDM4EGAAPTK2B
SCHEMBL16463118 0.72 ADRA2C (0.43) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL188362 0.70 ADRA2C (0.42) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL6156411 0.70 PRKDC (0.49)
SCHEMBL13243993 0.69 ADRB1 (0.65) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL7552901 0.69 DRD3 (0.46) DRD2DRD3KDM4EALDH1A1KMT2A
SCHEMBL972216 0.67 ADRA2C (0.55) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL5884761 0.67 HTR3A (0.51) ADRA2CMAPTKDM4EGAAPTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN ADRA2C 3317/4885DRD2 4782/4885DRD3 4637/4885

“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.