SCHEMBL4149874

SCHEMBL4149874

O=C(C=CC1CCN(C(=O)O)CC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
MAPT P10636 4/20 0.42
RECQL P46063 2/20 0.42
PLIN1 O60240 2/20 0.42
LMNA P02545 2/20 0.42
PLIN5 Q00G26 2/20 0.42
ABHD5 Q8WTS1 2/20 0.42
BCHE P06276 1/20 0.42
TNFRSF1A P19438 1/20 0.42
MAOB P27338 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
EPHX1 P07099 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40

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
SCHEMBL4149871 1.00 ACHE (0.44) ACHEHDAC8MAPTRECQLPLIN1
SCHEMBL17064498 0.85 MAPT (0.52) ACHEHDAC8MAPTRECQLPLIN1
SCHEMBL17064497 0.85 MAPT (0.52) ACHEHDAC8MAPTRECQLPLIN1
SCHEMBL4158896 0.82 HPGD (0.41) ACHEMAPTRECQLPLIN1LMNA
SCHEMBL4158903 0.82 HPGD (0.41) ACHEMAPTRECQLPLIN1LMNA
SCHEMBL22272411 0.82 PADI4 (0.49) ACHEMAPTRECQLPLIN1LMNA
SCHEMBL4237414 0.81 KDM4E (0.56) KMT2AMEN1PKM
SCHEMBL4237418 0.81 KDM4E (0.56) KMT2AMEN1PKM
SCHEMBL19322686 0.80 PADI4 (0.50) ACHEMAPTRECQLPLIN1LMNA
SCHEMBL5194755 0.80 PADI4 (0.50) ACHEMAPTRECQLPLIN1LMNA

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-20090143429-A1 Quinoline Derivatives as Neurokinin Receptor Antagonists CRAWFORTH JAMES MICHAEL 2009-06-04 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-20090143429-A1 Quinoline Derivatives as Neurokinin Receptor Antagonists TACR2, TACR1, TACR3 ACHE 657/4885HDAC8 984/4885MAPT 3729/4885

“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.