SCHEMBL998038

SCHEMBL998038

COC1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
MAP4K4 O95819 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
L3MBTL3 Q96JM7 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
ADORA2A P29274 1/20 0.36
USP30 Q70CQ3 1/20 0.35
USP2 O75604 1/20 0.35
JAK2 O60674 1/20 0.35
SYK P43405 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
MAPT P10636 1/20 0.35
OGA O60502 1/20 0.35
MBTD1 Q05BQ5 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 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
SCHEMBL20448627 0.89 USP30 (0.44) USP30NTSR1IDH1
SCHEMBL8911504 0.82 MBTD1 (0.52) RORCL3MBTL1L3MBTL3HRH3ADORA2A
SCHEMBL1033390 0.82 EGLN2 (0.36) USP30IDH1
SCHEMBL171731 0.81 ADRB1 (0.50) RORCL3MBTL1L3MBTL3USP2GPR119
Hydrochloric Acid SCHEMBL29224139 0.81 MBTD1 (0.50) RORCL3MBTL1L3MBTL3HRH3ADORA2A
SCHEMBL5542554 0.80 SMN1; SMN2 (0.51) L3MBTL1HRH3MAPTHTR3EHTR3B
SCHEMBL12093605 0.79 LMNA (0.48) HRH3MAPT
SCHEMBL18232039 0.79 CHKA (0.53) MAP4K4HRH3OGA
SCHEMBL5225773 0.79 RORC (0.41) RORCMAP4K4L3MBTL1L3MBTL3HRH3
SCHEMBL293214 0.79 HTR3E (0.48) MAPTHTR3EHTR3BADRB1HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US claimed
EP-3356331-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS Selvita S.A. (PL) 2018-08-08 EP claimed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP claimed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US claimed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 EP claimed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO claimed
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US disclosed
EP-3356331-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS Selvita S.A. (PL) 2018-08-08 EP disclosed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP disclosed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US disclosed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 EP disclosed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO 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-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS LDHB, LDHA, PDK1 RORC 1053/4885MAP4K4 1533/4885L3MBTL1 3923/4885
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS RORC 4411/4885MAP4K4 4225/4885L3MBTL1 2622/4885

“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.