SCHEMBL6842237

SCHEMBL6842237

NCc1cccc(C2(C(=O)Nc3ccc(N4CCCCC4=O)cc3F)CCCCN2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.41
CDK2 P24941 2/20 0.39
BACE1 P56817 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
MAPT P10636 1/20 0.37
TYK2 P29597 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KLKB1 P03952 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6839757 0.88 LMNA (0.44) F10CDK2BACE1LMNAHPGD
SCHEMBL6840565 0.85 LMNA (0.45) F10CDK2BACE1LMNAHPGD
SCHEMBL6840564 0.85 LMNA (0.45) F10CDK2BACE1LMNAHPGD
SCHEMBL6840741 0.75 LMNA (0.44) F10CDK2BACE1LMNAHPGD
SCHEMBL6840749 0.75 LMNA (0.44) F10CDK2BACE1LMNAHPGD
SCHEMBL27585237 0.75 F10 (0.39) F10CDK2BACE1LMNAHPGD
SCHEMBL6839695 0.73 F10 (0.55) F10LMNAHPGDTSHRPRSS1
SCHEMBL7151978 0.73 CDK2 (0.61) F10CDK2LMNAHPGDTSHR
SCHEMBL6840596 0.73 LMNA (0.46) F10CDK2BACE1LMNAHPGD
SCHEMBL6839759 0.71 F10 (0.44) F10LMNAHPGDTSHRMAPT

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-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 US claimed
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 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-20040082563-A1 Phenyl derivatives 3 F2, F11, F12 F10 5/4885CDK2 285/4885BACE1 1693/4885

“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.