SCHEMBL3597338

SCHEMBL3597338

[CH2]c1cccc(N2CCN(C)CC2)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.69
DRD3 P35462 10/20 0.69
HTR1A P08908 2/20 0.61
DRD4 P21917 2/20 0.61
HTR2A P28223 2/20 0.61
HTR2C P28335 2/20 0.61
ADRA2C P18825 1/20 0.49
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
BCL2A1 Q16548 1/20 0.44
MAPT P10636 2/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3399254 0.81 DRD2 (1.00) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL2463095 0.81 ADRA2C (0.60) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL3595699 0.80 ADRA2C (0.55) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL24309229 0.79 DRD2 (0.69) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL3399574 0.76 DRD2 (0.87) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL24683684 0.76 DRD2 (1.00) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL24310707 0.76 DRD2 (0.70) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL424507 0.75 DRD2 (0.75) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL12359055 0.73 DRD2 (0.71) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL2461864 0.72 DRD2 (0.59) 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.