SCHEMBL2913307

SCHEMBL2913307

c1ccc(CN2CCc3nc(N4CCOCC4)ccc3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.60
SIGMAR1 Q99720 5/20 0.60
ADRA2A P08913 2/20 0.60
ADRA2B P18089 2/20 0.60
DRD4 P21917 1/20 0.60
HRH1 P35367 1/20 0.60
HTR2B P41595 1/20 0.60
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ADRA2C P18825 1/20 0.54
DHFR P00374 1/20 0.48
BRS3 P32247 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
HSP90AB1 P08238 1/20 0.44
OGA O60502 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2913559 0.89 MEN1 (0.57) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL17984887 0.88 MEN1 (0.56) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL5774088 0.86 MEN1 (0.55) MEN1KMT2ANPC1RAB9ADHFR
SCHEMBL2909535 0.84 TMEM97 (0.56) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL17985354 0.83 MEN1 (0.52) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL2907475 0.81 MEN1 (0.47) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL2905781 0.81 MEN1 (0.47) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL29883119 0.78 KMT2A (0.63) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL1038680 0.78 KMT2A (0.63) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL13100451 0.77 MEN1 (0.61) TMEM97SIGMAR1ADRA2AADRA2BDRD4

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-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 US disclosed
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
EP-3252059-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE Medshine Discovery Inc. (CN) 2017-12-06 EP disclosed
EP-3252059-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE Medshine Discovery Inc. (CN) 2017-12-06 EP disclosed
WO-2016119706-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE 南京明德新药研发股份有限公司 2016-08-04 WO disclosed
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 EP disclosed
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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 (4 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 TMEM97 2253/4885SIGMAR1 795/4885ADRA2A 64/4885
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE NDUFV1, NDUFV2, MT-ND4 TMEM97 1967/4885SIGMAR1 2611/4885ADRA2A 2715/4885
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C TMEM97 2223/4885SIGMAR1 2779/4885ADRA2A 576/4885
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative NDUFV1, NDUFV2, MT-ND4 TMEM97 1967/4885SIGMAR1 2611/4885ADRA2A 2715/4885

“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.