SCHEMBL172968

SCHEMBL172968

NCc1cccc2c1CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.52
BCL2L1 Q07817 1/20 0.50
BAD Q92934 1/20 0.50
TBXA2R P21731 1/20 0.43
TSHR P16473 1/20 0.42
DHFR P00374 2/20 0.42
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
LMNA P02545 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
SCHEMBL10602990 0.98 PNMT (0.50) PNMTBCL2L1BADTBXA2RTSHR
Hydrochloric Acid SCHEMBL10647798 0.96 PNMT (0.49) PNMTBCL2L1BADTBXA2RTSHR
SCHEMBL10535124 0.96 PNMT (0.52) PNMTBCL2L1BADTBXA2RTSHR
SCHEMBL8939515 0.84 HTR2A (0.50) BCL2L1BADTBXA2RTSHRDHFR
SCHEMBL10914530 0.83 PNMT (0.67) PNMTBCL2L1BADTSHRALDH1A1
SCHEMBL9720039 0.83 BCL2L1 (0.54) BCL2L1BADTBXA2RTSHRDHFR
SCHEMBL19775787 0.82 HTR2A (0.49) BCL2L1BADTBXA2RTSHRDHFR
SCHEMBL10911429 0.80 PNMT (0.67) PNMTBCL2L1BADTSHRALDH1A1
SCHEMBL8872355 0.79 BCL2L1 (0.55) BCL2L1BADTBXA2RTSHRDHFR
SCHEMBL11005883 0.79 BCL2L1 (0.50) BCL2L1BADTBXA2RTSHRDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-11465989-B2 Guanidine compounds and use thereof ImmunoMet Therapeutics, Inc. (US) 2022-10-11 US disclosed
US-8445481-B2 Scaffold-diversified pyrrolidinone derivatives and their use THE UNIVERSITY OF CHICAGO (US) 2013-05-21 US disclosed
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
US-20080275078-A1 Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
US-20080275078-A1 Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-06 US disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 WO disclosed
WO-2005090354-A1 PYRAZOLO[3,4-b] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A PNMT 62/4885BCL2L1 2665/4885BAD 1099/4885
US-11465989-B2 Guanidine compounds and use thereof PC, TFAM, PCK2 PNMT 545/4885BCL2L1 2830/4885BAD 1107/4885
US-20080275078-A1 Pyrazolo[3,4-B] Pyridine Compounds and Their Use as Pde4 Inhibitors PDE4B, PDE3B, PDE4A PNMT 1290/4885BCL2L1 2528/4885BAD 2826/4885

“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.