SCHEMBL3594330

SCHEMBL3594330

C#C[C](C)N1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MGLL Q99685 2/20 0.39
PHGDH O43175 1/20 0.39
HTT P42858 1/20 0.35
HSD11B1 P28845 1/20 0.35
HTR1A P08908 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
POLB P06746 1/20 0.31
CHRM1 P11229 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4550633 0.73 CYP1A2 (0.52) CYP1A2TDP1MGLLPHGDHHTT
SCHEMBL20978539 0.67 CYP1A2 (0.35) CYP1A2TDP1MGLLPHGDHHTT
SCHEMBL27463075 0.67 CYP1A2 (0.57) CYP1A2TDP1MGLLPHGDHHTT
SCHEMBL8143096 0.65 CYP1A2 (0.55) CYP1A2TDP1MGLLPHGDHHTT
SCHEMBL13895251 0.65 MGLL (0.56) CYP1A2TDP1MGLLPHGDHHTR1A
SCHEMBL2743222 0.65 CYP1A2 (0.55) CYP1A2TDP1MGLLPHGDHHTT
SCHEMBL33260 0.65 CYP1A2 (1.00) CYP1A2TDP1MGLLPHGDHHTT
SCHEMBL13925516 0.65 CYP1A2 (1.00) CYP1A2TDP1MGLLPHGDHHTT
Hydrochloric Acid SCHEMBL2338864 0.63 CYP1A2 (0.94) CYP1A2TDP1MGLLPHGDHHTT
Hydrochloric Acid SCHEMBL22234282 0.63 CYP1A2 (0.94) CYP1A2TDP1MGLLPHGDHHTT

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 CYP1A2 3961/4885TDP1 451/4885MGLL 3667/4885

“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.