SCHEMBL3345264

SCHEMBL3345264

CCC[C@H]1CCCCN1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MAPT P10636 1/20 0.38
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL1651679 1.00 POLB (0.39) POLBL3MBTL1TP53PSEN1PSEN2
SCHEMBL8602693 0.90 S1PR1 (0.43) TP53MAPTGRM5KMT2A
SCHEMBL4780628 0.90 S1PR1 (0.43) TP53MAPTGRM5KMT2A
SCHEMBL7692006 0.87 S1PR1 (0.50) TP53MAPTKMT2A
SCHEMBL14413594 0.85 KMT2A (0.50) L3MBTL1MAPTALDH1A1KMT2A
SCHEMBL4732559 0.84 POLB (0.42) POLBL3MBTL1MAPTKMT2A
SCHEMBL8365982 0.84 AKR1C3 (0.46) POLBL3MBTL1TP53
SCHEMBL22371739 0.84 NPC1 (0.40) POLBL3MBTL1TP53PSEN1PSEN2
SCHEMBL20819833 0.84 NPC1 (0.40) POLBL3MBTL1TP53PSEN1PSEN2
SCHEMBL14645821 0.84 NPC1 (0.40) POLBL3MBTL1TP53PSEN1PSEN2

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-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 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-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS CYP3A5, ADH5, AVPR2 POLB 2563/4885L3MBTL1 3053/4885TP53 353/4885

“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.