SCHEMBL8349447

SCHEMBL8349447

CCOC(=O)Cc1ccc(N2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.50
LIPE Q05469 1/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
GFER P55789 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP4Z1 Q86W10 1/20 0.44

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
SCHEMBL17316376 0.87 LIPE (0.51) LIPEMAPTKDM4ELMNAGAA
SCHEMBL10902418 0.87 MAPT (0.48) ADRB1MAPTHTR3EHTR3BHTR3A
SCHEMBL10899752 0.85 ALDH1A1 (0.57) ADRB1LIPEMAPTLMNAGAA
SCHEMBL11872337 0.85 MAPT (0.54) LIPEMAPTKDM4ELMNAGAA
SCHEMBL21624879 0.84 MAPT (0.55) LIPEMAPTKDM4ELMNAGAA
Hydrochloric Acid SCHEMBL7366386 0.84 ALDH1A1 (0.56) ADRB1LIPEMAPTLMNAGAA
SCHEMBL6596281 0.84 LIPE (0.62) LIPEMAPTKDM4ELMNAGAA
SCHEMBL24059107 0.83 LIPE (0.50) LIPEMAPTKDM4ELMNAGAA
SCHEMBL11848012 0.83 LIPE (0.48) LIPEMAPTKDM4ELMNAGAA
SCHEMBL31226017 0.82 LIPE (0.47) LIPEMAPTKDM4ELMNAGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
EP-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 EP disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
WO-1999020606-A2 PIPERIDINES AND PIPERAZINES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1999-04-29 WO disclosed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 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 (4 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 ADRB1 101/4885LIPE 124/4885MAPT 4747/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ADRB1 616/4885LIPE 159/4885MAPT 4564/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 ADRB1 101/4885LIPE 124/4885MAPT 4747/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 ADRB1 101/4885LIPE 124/4885MAPT 4747/4885

“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.