SCHEMBL6482545

SCHEMBL6482545

O=C(CC(C(=O)NC1CCNCC1c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.43
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
FPR1 P21462 2/20 0.40
FPR2 P25090 2/20 0.40
SSTR4 P31391 1/20 0.38
MAOB P27338 2/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL5156105 0.90 ALDH1A1 (0.43) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL5176925 0.86 KDM1A (0.46) KDM1AMAPTPKMFPR1FPR2
SCHEMBL5161860 0.85 MAPT (0.47) KDM1AMAPTALDH1A1PKMFPR1
SCHEMBL5156707 0.84 KDM1A (0.47) KDM1AMAPTPKMFPR1FPR2
SCHEMBL5161368 0.79 GRM7 (0.48) KDM1AMAPTPKMFPR1FPR2
SCHEMBL5161629 0.79 KDM1A (0.42) KDM1AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5158465 0.78 TACR1 (0.42) KDM1AMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL5161850 0.77 KDM1A (0.43) KDM1AMAPTPKMFPR1FPR2
SCHEMBL5241830 0.77 EPHX2 (0.51) KDM1AMAPTPKMFPR1FPR2
SCHEMBL5158967 0.76 MAPT (0.48) MAPTKDM4EALDH1A1LMNASMN1; SMN2

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-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 KDM1A 2484/4885MAPT 2851/4885KDM4E 2227/4885

“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.