SCHEMBL5161629

SCHEMBL5161629

O=C(NC1CCNCC1c1ccccc1)C(Cc1ccco1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.42
MAOB P27338 2/20 0.38
PKM P14618 2/20 0.38
MAPT P10636 1/20 0.38
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
MAOA P21397 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SSTR4 P31391 1/20 0.36

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
SCHEMBL5156707 0.85 KDM1A (0.47) KDM1AMAOBPKMMAPTFPR1
SCHEMBL5176925 0.83 KDM1A (0.46) KDM1AMAOBPKMMAPTFPR1
SCHEMBL5161824 0.82 FPR1 (0.32) KDM1APKMMAPTFPR1FPR2
SCHEMBL5161860 0.82 MAPT (0.47) KDM1AMAOBPKMMAPTFPR1
SCHEMBL6482545 0.79 KDM1A (0.43) KDM1AMAOBPKMMAPTFPR1
SCHEMBL5158465 0.78 TACR1 (0.42) KDM1APKMMAPTFPR1ALDH1A1
SCHEMBL5159699 0.76 MAPT (0.38) KDM1AMAOBPKMMAPTFPR1
SCHEMBL5161368 0.76 GRM7 (0.48) KDM1APKMMAPTFPR1FPR2
SCHEMBL5161850 0.74 KDM1A (0.43) KDM1APKMMAPTFPR1FPR2
SCHEMBL5156105 0.73 ALDH1A1 (0.43) PKMMAPTFPR1ALDH1A1LMNA

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 4 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
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
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 2484/4885MAOB 2852/4885PKM 609/4885

“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.