SCHEMBL4139645

SCHEMBL4139645

CC1(C)CCCCN1C(=O)CBr

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 5/20 0.31
GRIN2B Q13224 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL12224351 0.82 ALDH1A1 (0.38) TSHRNFKB1CYP2C19CNR2GRIN2B
SCHEMBL12224198 0.79 L3MBTL1 (0.39) TSHRNFKB1CYP2C19CNR2GRIN2B
SCHEMBL15119950 0.78 CYP2C19 (0.36) TSHRNFKB1CYP2C19CNR2KMT2A
SCHEMBL12197941 0.78 SMN1; SMN2 (0.38) TSHRNFKB1CYP2C19CNR2KMT2A
SCHEMBL4020424 0.77 ALDH1A1 (0.37) TSHRNFKB1CYP2C19CNR2
SCHEMBL13713515 0.76 ALDH1A1 (0.39) TSHRNFKB1CYP2C19CNR2GRIN2B
SCHEMBL18711702 0.75 TSHR (0.35) TSHRNFKB1CYP2C19KMT2A
SCHEMBL15319783 0.75 TSHR (0.39) TSHRNFKB1CYP2C19CNR2KMT2A
SCHEMBL15119953 0.75 ADRA2C (0.33)
SCHEMBL12197911 0.75 CNR2 (0.35) TSHRNFKB1CYP2C19CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-9034880-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-8999978-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20140194414-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-10 US disclosed
US-20130203746-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES INC. 2013-08-08 US disclosed
US-20130190304-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130131054-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 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 (6 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-20150182509-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A TSHR 704/4885NFKB1 1835/4885CYP2C19 1698/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A TSHR 704/4885NFKB1 1835/4885CYP2C19 1698/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A TSHR 704/4885NFKB1 1835/4885CYP2C19 1698/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A TSHR 704/4885NFKB1 1835/4885CYP2C19 1698/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A TSHR 704/4885NFKB1 1835/4885CYP2C19 1698/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A TSHR 704/4885NFKB1 1835/4885CYP2C19 1698/4885

“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.