SCHEMBL3389355

SCHEMBL3389355

Oc1ccc2c[c]cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ESR2 Q92731 7/20 0.46
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ENPP2 Q13822 1/20 0.36
CYP1A2 P05177 1/20 0.35
ESR1 P03372 6/20 0.35
FTO Q9C0B1 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3386371 0.84 ESR2 (0.39) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL5748176 0.78 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL207927 0.76 NR4A2 (0.50) ALDH1A1MEN1KMT2APDGFRBPDGFRA
SCHEMBL5748301 0.73 HPGDS (0.38) ALDH1A1KDM4E
SCHEMBL5746232 0.73 LCK (0.43) KMT2AKDM4EFGFR1
SCHEMBL16289511 0.72
SCHEMBL695179 0.72 BACE1 (0.42) ESR2PDGFRBPDGFRAESR1TDP1
SCHEMBL16289398 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL207977 0.72 TYMS (0.33)
SCHEMBL2894578 0.72 EGFR (0.53) ALDH1A1MEN1KMT2APDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111902146-B Medicinal products for treating cough 日本化学药品株式会社 2024-04-12 CN disclosed
US-11918589-B2 Medicament for treatment of multiple sclerosis NIPPON CHEMIPHAR CO., LTD. (JP) 2024-03-05 US disclosed
US-20210121478-A1 MEDICAMENT FOR TREATMENT OF MULTIPLE SCLEROSIS NIPPON CHEMIPHAR CO., LTD. (JP) 2021-04-29 US disclosed
CN-111902146-A Medicinal product for treating cough 日本化学药品株式会社 2020-11-06 CN disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
CN-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 CN disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2631229-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2014-12-03 EP disclosed
CN-104105694-A Amide compound and use thereof for pest control SUMITOMO CHEMICAL CO 2014-10-15 CN disclosed
US-8673915-B2 P 2×4 receptor antagonist NIPPON CHEMIPHAR CO., LTD. (JP) 2014-03-18 US disclosed
EP-2631229-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2013-08-28 EP disclosed
US-20130178625-A1 P 2 X 4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2013-07-11 US disclosed
EP-1984366-B1 3, 9-DIAZABICYCLO Ý3.3. 1¨NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-12-15 EP disclosed
US-7687517-B2 3,9-Diazabicyclo [3.3.1] nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-03-30 US disclosed
US-20080306078-A1 3,9-Diazabicyclo [3.3.1] Nonane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors DANPET AB (SE) 2008-12-11 US disclosed
EP-1984366-A1 3, 9-DIAZABICYCLO Ý3.3. 1¨NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-10-29 EP disclosed
WO-2007090887-A1 3, 9-DIAZABICYCLO [3.3. 1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-08-16 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 (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-20130178625-A1 P 2 X 4 RECEPTOR ANTAGONIST P2RX4, P2RX2, P2RY4 ALDH1A1 3240/4885MEN1 3222/4885KMT2A 2776/4885
US-20080306078-A1 3,9-Diazabicyclo [3.3.1] Nonane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 ALDH1A1 608/4885MEN1 1448/4885KMT2A 2224/4885
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 ALDH1A1 3053/4885MEN1 2787/4885KMT2A 393/4885
US-20210121478-A1 MEDICAMENT FOR TREATMENT OF MULTIPLE SCLEROSIS TRPM4, TRPM7, P2RX3 ALDH1A1 2329/4885MEN1 3222/4885KMT2A 2464/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 ALDH1A1 3265/4885MEN1 4138/4885KMT2A 346/4885
US-11918589-B2 Medicament for treatment of multiple sclerosis P2RX3, TRPM4, P2RX4 ALDH1A1 2360/4885MEN1 2835/4885KMT2A 2188/4885

“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.