SCHEMBL3595699

SCHEMBL3595699

[CH2]c1cccc(N2CCN(C)CC2)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.55
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
HTR1A P08908 3/20 0.46
DRD4 P21917 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTR3A P46098 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
ADRB1 P08588 1/20 0.43
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2463095 0.82 ADRA2C (0.60) ADRA2CDRD2DRD3HTR1ADRD4
SCHEMBL13243993 0.81 ADRB1 (0.65) ADRA2CDRD2DRD3KMT2AMAPK1
SCHEMBL3597338 0.80 DRD2 (0.69) ADRA2CDRD2DRD3HTR1ADRD4
SCHEMBL1865040 0.78 DRD2 (0.51) ADRA2CDRD2DRD3HTR1ADRD4
SCHEMBL12359055 0.78 DRD2 (0.71) ADRA2CDRD2DRD3HTR1ADRD4
SCHEMBL3582553 0.74 DRD2 (0.47) ADRA2CDRD2DRD3HTR1ADRD4
SCHEMBL29946548 0.74 DRD2 (0.47) ADRA2CDRD2DRD3HTR1ADRD4
SCHEMBL3436293 0.73 ALDH1A1 (0.49) ADRA2CDRD2DRD3HTR1ADRD4
SCHEMBL173027 0.72 ADRB1 (0.62) ADRA2CDRD2DRD3HTR1AKMT2A
SCHEMBL30656303 0.72 ADRB1 (0.62) ADRA2CDRD2DRD3HTR1AKMT2A

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 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.