SCHEMBL5159699

SCHEMBL5159699

COc1ccc(C(Cc2ccc(-c3ccccc3)o2)C(=O)NC2CCNCC2c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TACR1 P25103 1/20 0.37
GPR88 Q9GZN0 1/20 0.37
FPR1 P21462 2/20 0.37
KDM1A O60341 3/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
EPHX2 P34913 1/20 0.35
AKT1 P31749 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL5158465 0.83 TACR1 (0.42) MAPTPKMALDH1A1TACR1FPR1
SCHEMBL5156105 0.78 ALDH1A1 (0.43) MAPTPKMALDH1A1TACR1FPR1
SCHEMBL5161629 0.76 KDM1A (0.42) MAPTPKMALDH1A1FPR1KDM1A
SCHEMBL5156707 0.75 KDM1A (0.47) MAPTPKMFPR1KDM1AMAOA
SCHEMBL5162353 0.75 ALDH1A1 (0.54) MAPTPKMKDM4EALDH1A1
SCHEMBL5161860 0.74 MAPT (0.47) MAPTPKMALDH1A1FPR1KDM1A
SCHEMBL5176925 0.73 KDM1A (0.46) MAPTPKMFPR1KDM1AMAOA
SCHEMBL5159703 0.72 MAPT (0.37) MAPTPKMKDM4EALDH1A1GPR88
SCHEMBL5159691 0.72 MAPT (0.39) MAPTPKMKDM4EALDH1A1TACR1
SCHEMBL6482545 0.70 KDM1A (0.43) MAPTPKMKDM4EALDH1A1FPR1

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
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
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 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 (2 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 MAPT 2851/4885PKM 609/4885KDM4E 2227/4885
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE MAPT 4578/4885PKM 1271/4885KDM4E 799/4885

“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.