SCHEMBL3597242

SCHEMBL3597242

CC[CH]c1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.55
GAA P10253 1/20 0.55
ADRA2C P18825 1/20 0.55
GFER P55789 1/20 0.55
KMT2A Q03164 1/20 0.55
PTK2B Q14289 1/20 0.55
ESR2 Q92731 1/20 0.55
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CHKA P35790 1/20 0.49
SIRT6 Q8N6T7 1/20 0.47
HDAC3 O15379 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
NCF1 P14598 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL208547 0.82 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EGAAADRA2C
SCHEMBL27581491 0.81 MAPT (0.56) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL3593153 0.80 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EGAAADRA2C
SCHEMBL99032 0.80 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EGAAADRA2C
SCHEMBL27581495 0.79 ADRB1 (0.58) ALDH1A1KDM4EMAOBSIRT6NCF1
SCHEMBL22579268 0.78 ALDH1A1 (0.89) ALDH1A1MAPTKDM4EGAAADRA2C
SCHEMBL7995290 0.77 ALDH1A1 (0.86) ALDH1A1MAPTKDM4EGAAADRA2C
SCHEMBL178275 0.76 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EGAAADRA2C
SCHEMBL28260866 0.76 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EGAAADRA2C
Water SCHEMBL28942638 0.75 ALDH1A1 (0.83) ALDH1A1MAPTKDM4EGAAADRA2C

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 ALDH1A1 4236/4885MAPT 2260/4885KDM4E 557/4885

“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.