SCHEMBL3587614

SCHEMBL3587614

[CH2]CC1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIM1 P11309 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
RAD52 P43351 1/20 0.31

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
SCHEMBL3589693 0.88 NCF1 (0.33) NCF1HRH3ACHEKDM4E
SCHEMBL81624 0.82 L3MBTL1 (0.39) NCF1HRH3ACHEPIM1L3MBTL1
SCHEMBL22570309 0.81 MEN1 (0.45) NCF1HRH3ACHEMEN1KMT2A
SCHEMBL7943522 0.81 MEN1 (0.45) NCF1HRH3ACHEMEN1KMT2A
SCHEMBL22570156 0.81 MEN1 (0.45) NCF1HRH3ACHEMEN1KMT2A
SCHEMBL4701914 0.80 GRIN2B (0.35) HRH3
SCHEMBL17574067 0.79 NCF1 (0.35) NCF1HRH3ACHEMEN1KMT2A
SCHEMBL16731641 0.79 NCF1 (0.35) NCF1HRH3ACHEMEN1KMT2A
SCHEMBL14013459 0.79 NCF1 (0.61) NCF1HRH3ACHEMEN1KMT2A
SCHEMBL22179237 0.79 NCF1 (0.35) NCF1HRH3ACHEMEN1KMT2A

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 NCF1 623/4885HRH3 3567/4885ACHE 2835/4885

“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.