SCHEMBL6311313

SCHEMBL6311313

O=C(O)N1CC2CNC=C2C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
POLB P06746 1/20 0.35
HDAC2 Q92769 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HHAT Q5VTY9 1/20 0.33
GRIN2B Q13224 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CCR5 P51681 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL6319241 0.69 HPGD (0.40) POLBALDH1A1KMT2ASIGMAR1
SCHEMBL4657693 0.65 RIPK1 (0.47) POLBALDH1A1KMT2A
SCHEMBL4657697 0.65 RIPK1 (0.47) POLBALDH1A1KMT2A
SCHEMBL31145153 0.65 POLB (0.39) POLBALDH1A1KMT2AHHATSIGMAR1
SCHEMBL4030428 0.62 SCN9A (0.41) POLBALDH1A1LMNAKMT2A
SCHEMBL25363009 0.62 AKR1C3 (0.47) ALDH1A1GRIN2B
SCHEMBL6695511 0.62 AKR1C3 (0.47) ALDH1A1GRIN2B
SCHEMBL4618575 0.62 HHAT (0.46) POLBALDH1A1LMNAHHATABCB1
SCHEMBL31703460 0.62 RAB9A (0.51) POLBHDAC2ALDH1A1GRIN2B
SCHEMBL25329218 0.61 RIPK1 (0.41) POLBSIGMAR1

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-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 BACE1 915/4885POLB 4702/4885HDAC2 2658/4885

“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.