SCHEMBL3378697

SCHEMBL3378697

c1c[nH]c(CN2CCC3(CCCCC3)CC2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.67
EGLN1 Q9GZT9 1/20 0.42
KCNH2 Q12809 1/20 0.42
CXCR4 P61073 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CCR5 P51681 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL21637922 0.84 ALOX15 (0.61) ALOX15EGLN1KCNH2CXCR4HPGD
SCHEMBL18325377 0.83 ALOX15 (0.81) ALOX15EGLN1KCNH2HPGDPOLB
SCHEMBL807358 0.83 ALOX15 (0.81) ALOX15EGLN1KCNH2HPGDPOLB
SCHEMBL4515060 0.81 ALOX15 (0.85) ALOX15EGLN1KCNH2POLBGAA
SCHEMBL1953418 0.81 ALOX15 (0.85) ALOX15EGLN1KCNH2HPGDPOLB
SCHEMBL15329166 0.81 ALOX15 (1.00) ALOX15EGLN1HTR1DHTR1BALDH1A1
SCHEMBL18325480 0.81 ALOX15 (0.71) ALOX15EGLN1KCNH2CXCR4HTR1D
SCHEMBL4731563 0.75 ALOX15 (0.79) ALOX15EGLN1CXCR4TDP1HTR1D
SCHEMBL5709857 0.75 ALOX15 (0.79) ALOX15EGLN1KCNH2HTR1DHTR1B
SCHEMBL6484067 0.75 ALOX15 (0.79) ALOX15EGLN1KCNH2POLBGAA

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-8557836-B2 Spiro-piperidine inhibitors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-10-15 US disclosed
US-20100069420-A1 SPIRO-PIPERIDINE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 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-20100069420-A1 SPIRO-PIPERIDINE INHIBITORS HSP90B1, PSTPIP2, HAVCR2 ALOX15 4839/4885EGLN1 1668/4885KCNH2 962/4885

“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.