SCHEMBL3593470

SCHEMBL3593470

[CH2]c1ccc(C)c(N2CCN(C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
PTK2B Q14289 1/20 0.42
ADRA2C P18825 1/20 0.42
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR3A P46098 3/20 0.41
HTR1A P08908 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL3583365 0.85 MAPT (0.45) ALDH1A1HTR2AMAPTKDM4EHTT
SCHEMBL13292998 0.81 MEN1 (0.57) ALDH1A1MAPTHTTL3MBTL1HTR3A
Ammonia Solution, Strong SCHEMBL3580502 0.79 MEN1 (0.55) ALDH1A1MAPTHTTL3MBTL1HTR3A
SCHEMBL429632 0.78 MAPT (0.62) ALDH1A1HTR1DHTR1BHTR2AMAPT
SCHEMBL16387109 0.78 ALDH1A1 (0.62) ALDH1A1HTR1DHTR1BHTR2AMAPT
SCHEMBL25719100 0.78 HTR6 (0.47) ALDH1A1HTR1DHTR1BHTR2AMAPT
SCHEMBL19403575 0.78 ALDH1A1 (0.67) ALDH1A1MAPTPOLBHTR1ANPSR1
SCHEMBL3594190 0.77 DRD2 (0.60) ALDH1A1HTR1DHTR1BHTR2AKDM4E
SCHEMBL3585035 0.76 ALDH1A1 (0.44) ALDH1A1HTR1DHTR1BHTR2AMAPT
SCHEMBL24243039 0.75 HRH3 (0.46) ALDH1A1HTR1DHTR1BHTR2AMAPT

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 ALDH1A1 4236/4885HTR1D 2359/4885HTR1B 2893/4885

“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.