SCHEMBL3137952

SCHEMBL3137952

C[C@@H]1CN(CCc2ccc(F)cc2)CCN1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLNR O43193 8/20 0.50
MAOA P21397 1/20 0.48
KCNH2 Q12809 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 1/20 0.45
KCNJ1 P48048 1/20 0.44
XIAP P98170 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
SCHEMBL3137966 1.00 MLNR (0.50) MLNRMAOAKCNH2SLC6A2SLC6A4
SCHEMBL3144417 1.00 MLNR (0.50) MLNRMAOAKCNH2SLC6A2SLC6A4
SCHEMBL20317464 0.85 SLC6A3 (0.43) MLNRKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL27744670 0.84 ACHE (0.57) SLC6A3
SCHEMBL13308196 0.84 MLNR (0.63) MLNRKCNH2CYP3A4
SCHEMBL3165020 0.84 MLNR (0.63) MLNRKCNH2CYP3A4
SCHEMBL3165269 0.84 MLNR (0.63) MLNRKCNH2CYP3A4
SCHEMBL20317594 0.83 SLC6A3 (0.58) MLNRKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL27536163 0.81 HTR2A (0.45) MAOAKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL2549429 0.77 KCNH2 (0.71) MAOAKCNH2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380537-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2021-12-09 US disclosed
US-20200048205-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-02-13 US disclosed
US-10351531-B2 Pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2019-07-16 US disclosed
US-20170320831-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2017-11-09 US disclosed
US-9732039-B2 Pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto Arena Pharmeceuticals, Inc. (US) 2017-08-15 US disclosed
US-9434692-B2 Pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-09-06 US disclosed
US-20160075660-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2016-03-17 US disclosed
CN-102838546-B Pyrazole derivatives as modulators of 5-ht2a serotonin receptor useful for treatment of disorders related thereto ARENA PHARM INC 2015-07-15 CN disclosed
EP-2066641-B1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2014-06-04 EP disclosed
US-20130217700-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20100004264-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-01-07 US disclosed
CN-101611013-A As 5-HT2APyrazole derivatives of serotonin receptor modulators for the treatment of disorders related thereto ARENA PHARM INC (US) 2009-12-23 CN disclosed
EP-1720868-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2006-11-15 EP disclosed
EP-1545528-A4 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2006-07-26 EP disclosed
WO-2005077944-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2005-08-25 WO disclosed
EP-1545528-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
WO-2004022712-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-03-18 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 (7 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-20100004264-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2B MLNR 786/4885MAOA 79/4885KCNH2 527/4885
US-20200048205-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C MLNR 801/4885MAOA 62/4885KCNH2 487/4885
US-20130217700-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR2A, HTR5A, HTR2C MLNR 1207/4885MAOA 44/4885KCNH2 580/4885
US-20210380537-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2B MLNR 786/4885MAOA 79/4885KCNH2 527/4885
US-20170320831-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR3A MLNR 734/4885MAOA 78/4885KCNH2 537/4885
US-10351531-B2 Pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto HTR5A, HTR2A, HTR3A MLNR 734/4885MAOA 78/4885KCNH2 537/4885
US-20160075660-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2B MLNR 786/4885MAOA 79/4885KCNH2 527/4885

“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.