SCHEMBL1307809

SCHEMBL1307809

NCCN1CCN(c2ncccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
HTR1A P08908 6/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD2 P14416 5/20 0.51
DRD3 P35462 5/20 0.51
DRD1 P21728 3/20 0.51
HTR2A P28223 3/20 0.51
DRD5 P21918 2/20 0.51
KDM1A O60341 1/20 0.51
KDM4E B2RXH2 1/20 0.50
DRD4 P21917 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL7656340 0.91 CYP2D6 (0.59) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL4447104 0.87 DRD2 (0.58) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL26108581 0.82 HTR1A (0.65) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL26492991 0.82 HTR1A (0.65) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL23252522 0.81 HTR1A (0.53) HTR1AMEN1KMT2ADRD2DRD3
Hydrochloric Acid SCHEMBL26108377 0.81 DRD2 (0.63) HTR1ADRD2DRD3DRD1HTR2A
SCHEMBL3910170 0.81 LMNA (0.57) HTR1AMEN1KMT2ADRD2DRD3
SCHEMBL7488861 0.81 MEN1 (0.56) HTR1AMEN1KMT2ADRD2DRD3
SCHEMBL6399783 0.81 MEN1 (0.58) HTR1AMEN1KMT2ADRD2DRD3
SCHEMBL5652648 0.81 HTR1A (0.55) HTR1AMEN1KMT2ADRD2DRD3

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
WO-2021011670-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
EP-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP disclosed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-03-25 US disclosed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP 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
US-5106849-A Treating anxiety, depression, psychoses AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-21 US disclosed
WO-1991010664-A1 PYRIDAZINO[4,5-b]INDOLIZINES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-07-25 WO disclosed
US-5010078-A Anxiolytic, antidepressant agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-04-23 US disclosed
US-4988814-A Antidepressants and/or anxiolytic agents AMERICAN HOME PRODUCTS CORP. (US) 1991-01-29 US disclosed
US-4985560-A Pyridazino(4,5-b)indolizines AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-15 US disclosed
EP-0395313-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-31 EP disclosed
EP-0343961-A2 Aryl- and heteroaryl piperazinyl carboxamides having central nervous system activity AMERICAN HOME PRODUCTS CORPORATION (US) 1989-11-29 EP disclosed
US-4668687-A Psychogeriatric 1-(2-pyrimidinyl)piperazinyl derivatives of 1-pyrrolidin-2-ones BRISTOL-MYERS COMPANY (US) 1987-05-26 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 (3 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-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, TRPV1 POLB 3939/4885HTR1A 709/4885MEN1 2128/4885
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 POLB 2640/4885HTR1A 1284/4885MEN1 323/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 POLB 3327/4885HTR1A 1491/4885MEN1 4845/4885

“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.