SCHEMBL81249

SCHEMBL81249

C(#Cc1cccc(-c2ccccc2)c1)COC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
RORC P51449 2/20 0.43
KDM4C Q9H3R0 1/20 0.40
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
DRD2 P14416 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GCK P35557 1/20 0.38
PTAFR P25105 1/20 0.35
MGLL Q99685 2/20 0.34
AGTR2 P50052 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL31419836 0.84 HTR2A (0.45) GRM5RORCKDM4CHTR2AHTR2C
SCHEMBL25230426 0.84 GRM5 (0.46) GRM5RORCKDM4CHTR2AHTR2C
SCHEMBL30421816 0.84 GRM5 (0.46) GRM5RORCKDM4CHTR2AHTR2C
SCHEMBL81084 0.82 GRM5 (0.44) GRM5RORCKDM4CHTR2AHTR2C
SCHEMBL10577452 0.77 MEN1 (0.48) GRM5RORCKDM4CMEN1KMT2A
SCHEMBL22252667 0.76 GRM5 (0.42) GRM5RORCKDM4CHTR2AHTR2C
SCHEMBL21058120 0.76 GRM5 (0.42) GRM5RORCKDM4CHTR2AHTR2C
SCHEMBL9763296 0.76 GRM5 (0.42) GRM5RORCKDM4CHTR2AHTR2C
SCHEMBL92954 0.76 NAAA (0.47) KDM4CMEN1KMT2AMGLL
SCHEMBL81302 0.75 PTAFR (0.41) GRM5RORCKDM4CMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C GRM5 1319/4885RORC 72/4885KDM4C 1969/4885

“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.