SCHEMBL853931

SCHEMBL853931

O=C(O)N1CCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.57
DRD4 P21917 1/20 0.56
LMNA P02545 3/20 0.53
HTT P42858 3/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.51
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TNF P01375 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
STING1 Q86WV6 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL27888907 0.89 HTR2C (0.58) HTR2CDRD4LMNAHTTMAPT
SCHEMBL3735431 0.88 DRD2 (0.56) HTR2CDRD4LMNAHTTMAPT
SCHEMBL615623 0.87 NOTUM (0.61) HTR2CDRD4LMNAHTTMAPT
SCHEMBL6646056 0.83 DRD4 (0.64) HTR2CDRD4LMNAHTTMAPT
SCHEMBL29360035 0.83 CA12 (0.61) HTR2CDRD4LMNAHTTMAPT
SCHEMBL25321827 0.83 HTR2C (0.56) HTR2CDRD4LMNAHTTMAPT
SCHEMBL2845681 0.83 HTR2C (0.61) HTR2CDRD4LMNAHTTMAPT
SCHEMBL30475931 0.83 HTR2C (0.56) HTR2CDRD4LMNAHTTMAPT
SCHEMBL7749893 0.83 DRD4 (0.55) HTR2CDRD4LMNAHTTMAPT
SCHEMBL2083976 0.83 CA12 (0.61) HTR2CDRD4LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274594-B1 ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-14 US claimed
CN-103635575-B For measuring method, composition and the kit of human immunodeficiency virus (HIV) 盖立复治疗公司 2019-03-01 CN disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
US-6274594-B1 ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-14 US disclosed
EP-1032570-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2000-09-06 EP disclosed
WO-1999025709-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 1999-05-27 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 (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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B HTR2C 1969/4885DRD4 1379/4885LMNA 4644/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B HTR2C 1969/4885DRD4 1379/4885LMNA 4644/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B HTR2C 1969/4885DRD4 1379/4885LMNA 4644/4885

“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.