SCHEMBL3660752

SCHEMBL3660752

O=C1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
SIGMAR1 Q99720 2/20 0.64
HTR3E A5X5Y0 1/20 0.64
HTR3B O95264 1/20 0.64
HTR1D P28221 1/20 0.64
HTR2C P28335 1/20 0.64
HTR3A P46098 1/20 0.64
HTR3D Q70Z44 1/20 0.64
HTR3C Q8WXA8 1/20 0.64
MAPT P10636 2/20 0.62
THRB P10828 1/20 0.62
HTR7 P34969 3/20 0.55
ALOX5 P09917 1/20 0.55
TSHR P16473 2/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.53
MEN1 O00255 2/20 0.52

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
SCHEMBL27989957 0.90 ALDH1A1 (0.58) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL28226906 0.86 ALDH1A1 (0.77) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL12706910 0.82 ALDH1A1 (0.72) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL735432 0.82 ALDH1A1 (0.67) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL6257153 0.81 ALDH1A1 (0.70) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL7450080 0.80 MAPT (0.66) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
Hydrochloric Acid SCHEMBL10515108 0.79 MAPT (0.71) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL4069047 0.79 ALDH1A1 (0.68) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL3844577 0.79 DRD2 (0.62) ALDH1A1SIGMAR1HTR7NPSR1
SCHEMBL5539062 0.79 CA12 (0.54) MAPTLMNANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106188043-A Tetracyclic compound 梅迪维新技术公司 2016-12-07 CN disclosed
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
EP-2217598-A1 NEW TETRACYCLIC COMPOUNDS Medivation Technologies, Inc. (US) 2010-08-18 EP disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 WO disclosed
EP-0526434-B1 Benzimidazolone derivatives as 5-HT1A and 5-HT2 antagonists BOEHRINGER INGELHEIM ITALIA (IT) 2000-04-19 EP disclosed
US-5576318-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-11-19 US disclosed
WO-1993003016-A1 BENZIMIDAZOLONE DERIVATIVES AS 5-HT1A AND 5-HT2 ANTAGONISTS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1993-02-18 WO disclosed
EP-0526434-A1 Benzimidazolone derivatives as 5-HT1A and 5-HT2 antagonists BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1993-02-03 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 (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 ALDH1A1 1557/4885SIGMAR1 178/4885HTR3E 16/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ALDH1A1 1557/4885SIGMAR1 178/4885HTR3E 16/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ALDH1A1 1557/4885SIGMAR1 178/4885HTR3E 16/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ALDH1A1 1557/4885SIGMAR1 178/4885HTR3E 16/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A ALDH1A1 1557/4885SIGMAR1 178/4885HTR3E 16/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ALDH1A1 1557/4885SIGMAR1 178/4885HTR3E 16/4885

“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.